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
    0.9967   -1.7684    0.5213 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3529   -0.5914    0.3271 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4914    0.4785   -0.0637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7773    0.4648   -0.2871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6749   -0.6470   -0.2012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3799   -1.8145    0.1067 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0610   -0.4682   -0.4837 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9303   -1.5758   -0.3931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3597   -1.1640   -0.7240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7982   -0.0873    0.2766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5442    0.4767   -0.0454 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -8.3554    0.7838    1.4474 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6645   -0.0261    2.7660 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -8.9081    0.0998    4.1831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0936    0.8001    3.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4045   -1.8348    2.4159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3822   -0.7520   -0.8909 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0586   -0.7572   -0.5559 Si  0  0  0  0  0  4  0  0  0  0  0  0
  -10.6953    0.9537   -0.1835 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9375   -1.3565   -2.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4766   -1.9540    0.8110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4837    1.9512   -0.8741 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1203    1.8639   -2.5129 Si  0  0  0  0  0  4  0  0  0  0  0  0
   -7.8436    0.3824   -3.3794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8701    3.3920   -3.3333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2901    1.8976   -2.8594 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7338   -0.3067    0.5148 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5787   -1.3800    0.9046 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0098   -0.9007    1.0694 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5625   -0.3334   -0.2012 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3180    0.2575    0.1002 Si  0  0  0  0  0  4  0  0  0  0  0  0
    8.4155   -1.0285   -0.0206 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0247   -0.4996   -0.2638 Si  0  0  0  0  0  4  0  0  0  0  0  0
   10.2564    1.3075    0.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5158   -0.9401   -2.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1812   -1.4679    0.8500 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4417    1.1853    1.4921 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8300    0.4617    2.9382 Si  0  0  0  0  0  4  0  0  0  0  0  0
    6.4756    0.8998    4.1793 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3979    1.3098    3.6077 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1647   -1.3416    2.9368 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6716    1.3167   -1.2360 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0606    0.7464   -2.7081 Si  0  0  0  0  0  4  0  0  0  0  0  0
    7.2391   -1.0812   -2.9561 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0921    1.5820   -4.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2761    1.2625   -2.9867 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9918    1.4926   -0.1991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2622    1.4354   -0.5885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6432   -2.3489   -1.1651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8710   -2.0932    0.5761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4300   -0.7655   -1.7350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0226   -2.0371   -0.5543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0808    0.7826    0.2397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6522   -0.5387    1.2678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5295   -0.4527    5.0702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9018   -0.2675    3.8542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0345    1.1751    4.4310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3705   -0.0089    3.5865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6568    1.4685    2.5698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2689    1.3767    4.2843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2071   -2.4264    2.8988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5013   -2.0467    1.3306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4406   -2.2005    2.8261 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6880    1.1093   -0.6681 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0223    1.7164   -0.6562 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8363    1.1392    0.8927 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9153   -1.8201   -1.8443 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2567   -2.0697   -2.6031 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0586   -0.4720   -2.7582 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4582   -1.4930    1.8124 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4467   -2.4527    0.5908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7204   -2.7643    0.7910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9394    0.4232   -3.4227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4996    0.4649   -4.4529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4413   -0.5741   -3.0215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9647    3.3983   -3.0634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4511    4.3198   -2.8843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7159    3.3833   -4.4180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9823    2.8426   -3.3520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9880    1.0837   -3.5816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6916    1.6900   -1.9452 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2509   -1.7670    1.8890 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5491   -2.2218    0.1850 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5980   -1.7792    1.3998 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0868   -0.1374    1.8663 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5116   -1.1215   -0.9759 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9297    0.5072   -0.5857 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7167    1.7760   -0.8714 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0278    1.4819    0.8527 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3421    1.8467    0.3078 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0219   -1.8794   -2.3643 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6260   -1.0497   -2.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2310   -0.1420   -2.7420 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1334   -1.7125    0.3320 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4575   -0.8115    1.7213 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6988   -2.3863    1.2335 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9202    0.9562    5.1851 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6863    0.1388    4.1848 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1199    1.9182    3.9267 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2377    0.8077    3.0886 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4355    1.1071    4.7075 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3283    2.3838    3.3891 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6447   -1.8459    3.7906 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8497   -1.8128    1.9965 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2685   -1.5127    2.9971 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2231   -1.4840   -3.2355 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5480   -1.6489   -2.0819 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9495   -1.3353   -3.7834 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6709    2.6018   -4.2732 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1294    1.7440   -3.7269 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0387    0.9929   -4.9859 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1799    1.6307   -4.0433 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5978    0.3858   -2.9380 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9710    2.1025   -2.3579 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