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
   -2.4064    1.4488   -2.6265 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9623    0.2813   -2.5746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6183    0.0295   -2.0579 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1626    0.9997   -1.6384 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917    0.7125   -1.1311 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2558    1.6317   -0.7268 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9198   -0.5997   -1.0938 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1743   -1.0083   -0.6266 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4085   -0.6481    0.8116 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7312   -1.0788    1.3513 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1961   -0.3396    0.4664 Si  0  0  0  0  0  4  0  0  0  0  0  0
    7.1050    0.5052    1.6326 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3626   -0.3697    2.3220 Si  0  0  0  0  0  4  0  0  0  0  0  0
    9.4433    0.8263    3.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978   -1.6166    3.5383 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4476   -1.2468    1.1115 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0514   -1.5914   -0.2633 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0956   -1.5674   -1.9380 Si  0  0  0  0  0  4  0  0  0  0  0  0
    5.6900   -2.5104   -2.7227 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6990   -2.4261   -2.4637 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1383    0.1231   -2.7026 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6364    0.8392   -0.6484 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8867    2.4409   -0.0815 Si  0  0  0  0  0  4  0  0  0  0  0  0
    7.6787    2.9743   -0.3248 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8278    3.5725   -1.1347 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4046    2.6663    1.6872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7353   -0.7657   -3.0024 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0300   -0.6283   -3.5093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9760   -0.0080   -2.4816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0106   -0.9307   -1.2551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1270   -0.2546    0.0317 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -5.2368   -0.0067    1.5012 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2522    1.6098    2.0038 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -5.0625    2.8322    0.6358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8245    1.8714    3.2097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8439    1.9069    2.9674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4382   -1.2556    0.4235 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0334   -2.8896    0.6274 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -7.0877   -3.8650   -0.9369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2670   -3.6434    1.8148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3513   -2.9894    1.4552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7442    1.2801   -0.4236 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4432    1.2342   -0.6560 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -9.3390    0.3202    0.6751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7783    0.4561   -2.3362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1299    2.9918   -0.6845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2467   -1.0057   -2.0181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1899    2.0166   -1.6726 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0056   -0.6666   -1.2635 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2011   -2.1281   -0.6845 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5710   -1.0521    1.4485 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3445    0.4541    0.9281 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7639   -2.1901    1.3459 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7220   -0.8220    2.4522 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8382    1.3989    4.0295 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2825    0.2938    3.7608 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8485    1.5570    2.5592 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2180   -1.0781    4.3994 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5150   -2.2264    3.9825 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9575   -2.2979    3.0663 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7021   -0.6326    0.2276 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4119   -1.4668    1.6255 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0401   -2.2558    0.8266 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0829   -3.1243   -3.5357 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9423   -1.7860   -3.1602 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2031   -3.1687   -1.9669 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5439   -1.7102   -2.4676 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6084   -2.8422   -3.4757 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9567   -3.2311   -1.7566 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1516    0.5631   -2.8922 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8604    0.7707   -2.1807 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5873   -0.0144   -3.7333 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8180    3.3353   -1.3652 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8846    3.8168    0.3381 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3578    2.1046   -0.1974 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3432    3.0241   -1.9749 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9958    4.0173   -0.5222 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4277    4.3750   -1.6075 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8889    1.8222    2.1434 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3260    2.8950    2.2918 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7496    3.5687    1.8188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0322    0.0824   -4.3813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4148   -1.6081   -3.8298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9803    0.0050   -2.9472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6565    0.9966   -2.2232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2320   -1.9694   -1.5545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9669   -0.9330   -0.8798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0424    3.3447    0.4061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5966    2.4318   -0.2753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3967    3.6853    0.9610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6079    2.9585    3.2677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9185    1.3546    2.8420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1376    1.4782    4.1986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6428    2.5513    3.8392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2538    0.9473    3.3632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5905    2.4208    2.3272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6988   -4.7822   -0.8573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4282   -3.2151   -1.7914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0360   -4.2208   -1.1443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2934   -3.5006    1.4217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1220   -4.7538    1.8923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1926   -3.2017    2.8261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0308   -4.0359    1.5896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6053   -2.3583    0.9665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4975   -2.5856    2.4946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6983   -0.6794    0.2928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7846    0.2289    1.6214 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3013    0.8429    0.9540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8610    0.5117   -2.5503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1882    1.0347   -3.0739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4366   -0.5797   -2.3034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3578    3.7011   -1.0254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4871    3.2478    0.3482 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0310    2.9720   -1.3272 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