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
    2.1869   -0.2845   -1.6725 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7369   -1.2617   -1.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3320   -1.2135   -0.6029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4233   -0.1769   -0.8882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8073   -0.1641   -0.4473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5479    0.8401   -0.7227 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3838   -1.1940    0.2675 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7051   -1.2466    0.7222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0239   -0.1082    1.6705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4707   -0.2670    2.1024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6583   -0.2104    0.6787 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -8.1826    0.2792    1.2422 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9292   -0.8256    2.2867 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -8.3823   -0.5078    4.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4661   -2.5763    1.8741 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7995   -0.6164    2.2768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7166   -1.7378   -0.0973 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2916   -1.6420   -1.7011 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -6.2758   -0.4602   -2.7043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1714   -3.3623   -2.4459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0962   -1.1830   -1.6705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1615    0.9296   -0.5098 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8017    2.4850   -0.1832 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -6.7216    2.8761    1.6376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8518    3.7474   -1.1686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5836    2.5363   -0.7262 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5643   -2.3242   -0.7631 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9113   -2.4166   -1.1523 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7421   -1.3316   -0.5514 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1940   -1.4180   -0.9746 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1281   -0.0272   -0.1636 Si  0  0  0  0  0  4  0  0  0  0  0  0
    5.9990    1.0581    0.5040 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    1.1355    2.1956 Si  0  0  0  0  0  4  0  0  0  0  0  0
    7.2335    2.4836    2.7079 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3338    1.6868    2.7648 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4230   -0.4715    3.0185 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0998   -0.7517    1.0586 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7320   -0.8888    0.5719 Si  0  0  0  0  0  4  0  0  0  0  0  0
    9.7713   -1.8360   -1.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6404   -1.8536    1.8873 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5625    0.7594    0.3799 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0670    0.7754   -1.3151 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2644    1.4342   -2.6295 Si  0  0  0  0  0  4  0  0  0  0  0  0
    7.5622    0.3870   -4.1462 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4559    1.7629   -2.3770 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0596    3.1208   -2.9655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0829   -2.0507   -0.0411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0386    0.6629   -1.4420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8462   -2.2336    1.2077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4363   -1.2339   -0.1226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4160   -0.2410    2.6079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7916    0.8655    1.2435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7269    0.4576    2.9047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5200   -1.2854    2.5736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5756    0.5354    4.2920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3308   -0.7375    4.2145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0428   -1.1182    4.7364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3748   -2.6768    1.9488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8723   -2.9170    0.8874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8883   -3.2126    2.7034 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1900   -1.0868    1.3517 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9874    0.4835    2.3046 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1847   -1.1042    3.1920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1456   -0.8674   -3.7493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2732   -0.2820   -2.3099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8012    0.5078   -2.8242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6176   -3.3717   -3.4591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1097   -3.7079   -2.4645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7728   -4.0367   -1.7945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4625   -0.9910   -2.7069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6455   -2.0590   -1.2654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2554   -0.2683   -1.1002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2848    2.1720    2.2465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6753    2.8955    1.9586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1096    3.9312    1.7387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3558    4.7523   -1.0801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8219    3.8934   -0.8057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8606    3.4595   -2.2339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9501    3.5932   -0.7753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2401    2.0162    0.0023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7001    2.1139   -1.7253 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2484   -3.4353   -0.8086 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9608   -2.4574   -2.2590 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6787   -1.4724    0.5704 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2980   -0.3564   -0.7396 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1842   -1.3234   -2.0812 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5419   -2.4187   -0.6447 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2648    2.0875    2.8841 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    2.9651    3.6700 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2485    3.3016    1.9577 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2130    1.3089    3.8023 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2722    2.7786    2.7840 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5449    1.2194    2.1061 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7474   -0.6617    3.9023 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4515   -0.4927    3.4598 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2644   -1.3669    2.3614 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1735   -2.7589   -0.8763 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2773   -1.2328   -1.8043 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8238   -2.0944   -1.3107 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9389   -2.4736    2.5076 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4329   -2.5016    1.4586 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1179   -1.1550    2.6268 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4260    1.1466   -0.6541 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6727    0.5837    0.4667 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2952    1.4814    1.1528 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4776    0.7632   -4.6376 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6232   -0.6750   -3.8740 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7131    0.5728   -4.8415 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1204    2.5613   -3.1091 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8884    0.8643   -2.6949 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2198    2.1387   -1.3784 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1483    3.0529   -2.7250 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5807    3.8935   -2.3328 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0080    3.3588   -4.0530 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