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