Monomers

Fumaric acid bis[3-[tris(trimethylsiloxy)silyl]propyl] ester

Identifiers

IUPAC name
bis[3-tris(trimethylsilyloxy)silylpropyl] (E)-but-2-enedioate
InchI
InChI=1S/C28H68O10Si8/c1-39(2,3)33-45(34-40(4,5)6,35-41(7,8)9)25-19-23-31-27(29)21-22-28(30)32-24-20-26-46(36-42(10,11)12,37-43(13,14)15)38-44(16,17)18/h21-22H,19-20,23-26H2,1-18H3/b22-21+
InchI Key
PBTFWLWNVIYIIR-QURGRASLSA-N
SMILES
O=C(/C=C/C(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
Canonical SMILES
C[Si](C)(C)O[Si](CCCOC(=O)C=CC(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
Isomeric SMILES
C[Si](C)(C)O[Si](CCCOC(=O)/C=C/C(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C28H68O10Si8
Heavy Atom Count
46
Molecular Weight
789.53
Exact Molecular Weight
788.2967
Valence Electrons
272
Radical Electrons
0
tPSA
107.98
MolLogP
8.396
H Bond Acceptors
10
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

114113  0  0  0  0  0  0  0  0999 V2000
   -2.9825    5.3365    1.5209 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0561    4.5379    1.1037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9746    5.0975    0.3573 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0696    4.5359   -0.1599 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4701    3.1556   -0.1427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2093    2.2653    0.4128 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6467    2.7348   -0.7463 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1203    1.4276   -0.7757 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3490    0.9213    0.6060 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9216   -0.4816    0.6643 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5987   -0.5501   -0.1842 Si  0  0  0  0  0  4  0  0  0  0  0  0
    5.2381    0.9918   -0.4105 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7326    1.8370    0.9533 Si  0  0  0  0  0  4  0  0  0  0  0  0
    7.5961    2.1242    0.7803 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4461    0.9764    2.5607 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9908    3.5824    0.9925 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5693   -1.5971    0.7205 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1395   -1.8432    0.1443 Si  0  0  0  0  0  4  0  0  0  0  0  0
    7.4013   -3.6279   -0.4048 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6109   -0.7249   -1.2540 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3095   -1.5342    1.5719 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2986   -1.1892   -1.7745 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7662   -2.7813   -1.7800 Si  0  0  0  0  0  4  0  0  0  0  0  0
    2.0677   -2.8446   -2.6110 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5915   -3.5815   -0.1335 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9204   -3.7718   -2.8977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2571    3.2263    1.4525 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3409    2.7507    2.1919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6909    2.9880    1.5999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8909    2.3501    0.2427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6916    0.4975    0.3576 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -5.7972   -0.2371   -0.6945 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6626    0.2173   -2.3132 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -3.9485    0.1689   -2.9961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4255    1.9031   -2.6373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6834   -1.0147   -3.3174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0705    0.1267   -0.0199 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6572   -1.4848    0.3049 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -0.8894   -1.7270   -0.2536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7487   -1.9044    2.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7156   -2.6359   -0.7010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0945    0.0395    1.9619 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7491   -0.2383    2.1867 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -7.1146   -0.0009    4.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1555   -1.9985    1.7290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8251    0.9590    1.2367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375    6.2127    0.1887 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7722    5.2082   -0.7018 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4652    0.7361   -1.3546 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1391    1.4781   -1.2635 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3774    0.8353    1.1892 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9598    1.5970    1.2298 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9933   -0.8423    1.7057 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1938   -1.1269    0.1534 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1838    1.3119    1.2039 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8713    3.1159    1.2499 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7736    2.2923   -0.3046 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5286    1.3861    3.0341 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3096    1.1961    3.2526 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4109   -0.1226    2.4916 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5360    3.7554    0.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1987    3.5677    1.7728 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7436    4.3098    1.3019 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4271   -3.9513   -0.0566 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7084   -4.3175    0.1100 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4381   -3.7153   -1.4934 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0542   -1.3407   -2.0622 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7519   -0.2105   -1.7043 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4364   -0.0199   -0.9638 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7875   -1.1638    2.4785 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1626   -0.8769    1.2782 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7689   -2.4978    1.8528 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9784   -3.9100   -2.9724 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2735   -2.7534   -1.8469 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9919   -2.1288   -3.4326 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6625   -2.9133    0.7367 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3258   -4.4323    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5961   -4.1058   -0.0114 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4257   -4.0761   -3.8403 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2291   -4.7160   -2.3845 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7992   -3.1701   -3.2029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3658    3.1899    3.2321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1891    1.6631    2.3592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4657    2.5701    2.2899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8972    4.0634    1.5514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9151    2.5541   -0.1302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1136    2.7936   -0.4422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7367   -0.8299   -3.4736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1589    0.4951   -2.3208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9188    0.8799   -3.8746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3259    2.0083   -2.0084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7108    2.7202   -2.5410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7892    1.9061   -3.7035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7180   -0.6727   -3.4378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7222   -1.9917   -2.7979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2581   -1.1315   -4.3285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6479   -1.1103   -1.1342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7723   -2.8229   -0.4729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2392   -1.5194    0.6189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0153   -1.3480    2.6945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4889   -2.9917    2.2032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7986   -1.8275    2.5013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4280   -3.7016   -0.4745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4695   -2.5089   -1.7844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7862   -2.4650   -0.5790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1425    0.3932    4.1101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9873   -0.9925    4.4902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4130    0.7599    4.4062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4685   -2.5785    2.6435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2340   -2.5414    1.3800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9490   -2.0587    0.9488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8915    0.7043    1.5094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7646    0.8079    0.1484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6784    1.9893    1.5751 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 13 16  1  0
 11 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 18 21  1  0
 11 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 23 26  1  0
  2 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  1  0
 33 36  1  0
 31 37  1  0
 37 38  1  0
 38 39  1  0
 38 40  1  0
 38 41  1  0
 31 42  1  0
 42 43  1  0
 43 44  1  0
 43 45  1  0
 43 46  1  0
  3 47  1  0
  4 48  1  0
  8 49  1  0
  8 50  1  0
  9 51  1  0
  9 52  1  0
 10 53  1  0
 10 54  1  0
 14 55  1  0
 14 56  1  0
 14 57  1  0
 15 58  1  0
 15 59  1  0
 15 60  1  0
 16 61  1  0
 16 62  1  0
 16 63  1  0
 19 64  1  0
 19 65  1  0
 19 66  1  0
 20 67  1  0
 20 68  1  0
 20 69  1  0
 21 70  1  0
 21 71  1  0
 21 72  1  0
 24 73  1  0
 24 74  1  0
 24 75  1  0
 25 76  1  0
 25 77  1  0
 25 78  1  0
 26 79  1  0
 26 80  1  0
 26 81  1  0
 28 82  1  0
 28 83  1  0
 29 84  1  0
 29 85  1  0
 30 86  1  0
 30 87  1  0
 34 88  1  0
 34 89  1  0
 34 90  1  0
 35 91  1  0
 35 92  1  0
 35 93  1  0
 36 94  1  0
 36 95  1  0
 36 96  1  0
 39 97  1  0
 39 98  1  0
 39 99  1  0
 40100  1  0
 40101  1  0
 40102  1  0
 41103  1  0
 41104  1  0
 41105  1  0
 44106  1  0
 44107  1  0
 44108  1  0
 45109  1  0
 45110  1  0
 45111  1  0
 46112  1  0
 46113  1  0
 46114  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers