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
    2.4201    4.2990   -1.3960 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3614    3.7576   -0.8727 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7968    4.4630    0.2360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2304    4.1591    0.9212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1096    3.0281    0.7753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1105    2.8991    1.5899 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0364    2.0174   -0.1491 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9190    0.9333   -0.2516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9765    0.0444    0.9443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9400   -1.1042    0.7744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6852   -0.4847    0.4790 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -5.8755   -1.4889    1.0415 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6750   -2.3822    2.4018 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -4.5868   -1.4724    3.6191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0350   -4.0995    2.2119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3689   -2.5428    3.2402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7698    0.9450    1.4877 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1025    1.9142    1.1112 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -5.6202    3.0182   -0.3285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4949    2.9581    2.6246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6193    0.9864    0.6246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8923    0.1183   -1.0794 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3241   -0.9395   -2.2770 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -7.1697   -1.2198   -2.2387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9546   -0.1163   -3.9403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4080   -2.5554   -2.2744 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9293    2.5915   -1.4466 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4811    1.8961   -2.5252 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8824    1.4593   -2.1688 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7805    0.5801   -0.9419 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4146   -0.0643   -0.3495 Si  0  0  0  0  0  4  0  0  0  0  0  0
    5.6191   -0.1031   -1.5243 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4660    1.3258   -1.7913 Si  0  0  0  0  0  4  0  0  0  0  0  0
    6.0183    1.9243   -3.5264 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3277    0.9845   -1.8046 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1456    2.6816   -0.5897 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8872    0.8944    1.0080 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8243    0.0072    2.1213 Si  0  0  0  0  0  4  0  0  0  0  0  0
    6.6009    1.2629    3.2987 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2316   -0.8982    1.2980 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8154   -1.1616    3.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1354   -1.6589    0.2443 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4383   -2.8655   -0.8987 Si  0  0  0  0  0  4  0  0  0  0  0  0
    5.9628   -3.8170   -0.3829 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0328   -4.1021   -1.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7312   -2.2103   -2.6107 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3291    5.3997    0.5331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5098    4.8473    1.7549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9535    1.3471   -0.3884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6056    0.3501   -1.1514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1382    0.5967    1.8668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9586   -0.4293    1.0417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8719   -1.7410    1.6609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6257   -1.6914   -0.1108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0950   -1.3153    4.5911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6800   -2.0925    3.8841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2097   -0.5108    3.2170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5905   -4.4531    3.1772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2564   -4.2170    1.4525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8380   -4.8346    1.9806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1629   -2.7213    2.5073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5627   -1.5136    3.6627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3284   -3.2314    4.0820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2178    3.9522   -0.2218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9254    2.4998   -1.2580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5385    3.2071   -0.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5823    3.4934    2.9637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2986    3.6539    2.3348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7955    2.2392    3.4180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6905   -0.0307    1.0226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7937    1.0094   -0.4907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5082    1.5310    1.0363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6463   -0.3229   -2.7170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5696   -1.2655   -1.2201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4649   -2.0861   -2.8737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9341   -0.4393   -4.2679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7355   -0.3197   -4.6736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8645    0.9982   -3.8084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6733   -3.1889   -3.1458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3279   -2.4467   -2.2738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7721   -3.1309   -1.3802 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4648    2.5399   -3.4309 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8308    0.9866   -2.6740 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4718    2.3609   -1.9401 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3458    0.9111   -3.0236 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2543    1.1675   -0.1528 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951   -0.2645   -1.1854 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6910    1.0508   -4.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9361    2.3312   -4.0183 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2638    2.7353   -3.4811 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4737   -0.0381   -2.2195 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6814    1.0454   -0.7548 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8053    1.7542   -2.4248 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8088    2.5757    0.3184 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4337    3.6538   -1.0908 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0971    2.8016   -0.2736 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8899    2.1638    2.6856 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4627    0.8327    3.8271 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8256    1.5554    4.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0259   -1.1908    0.2696 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4026   -1.8312    1.8895 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1842   -0.3132    1.3774 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5404   -1.8995    3.6102 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3870   -0.6215    4.0365 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0797   -1.7321    2.5830 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8536   -4.9066   -0.5831 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0847   -3.7063    0.7016 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8675   -3.4573   -0.9167 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0945   -3.5855   -1.2479 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2948   -4.8101   -1.8203 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9591   -4.6967   -0.0564 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1051   -1.3556   -2.8720 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4591   -3.0257   -3.3442 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8283   -2.0366   -2.8176 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