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
-2.5632 -1.4401 1.9339 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8386 -1.7473 0.9535 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4503 -2.1368 1.2243 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3556 -2.4658 0.2412 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7422 -2.8616 0.4422 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1893 -2.8914 1.6114 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 -3.2056 -0.5921 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9260 -3.5967 -0.4718 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8218 -2.5846 0.1604 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7817 -1.3181 -0.6957 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8712 0.0217 -0.0089 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.2042 0.3015 -1.0151 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2013 -1.0218 -1.2737 Si 0 0 0 0 0 4 0 0 0 0 0 0
9.8248 -0.4136 -2.0543 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4754 -2.2171 -2.5322 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6400 -1.9569 0.2622 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2973 -0.3367 1.6110 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0424 0.9506 2.4204 Si 0 0 0 0 0 4 0 0 0 0 0 0
5.9390 2.4203 2.6687 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6458 1.4682 1.5996 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5278 0.3291 4.1364 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8984 1.4503 0.0636 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0939 2.4383 -1.3001 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.7739 3.2679 -1.1871 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9328 1.4267 -2.8373 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8025 3.7863 -1.2242 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3664 -1.7057 -0.2989 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6842 -1.3413 -0.6017 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7012 -2.2182 0.0347 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1200 -1.9435 -0.2576 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8262 -0.3113 0.1785 Si 0 0 0 0 0 4 0 0 0 0 0 0
-7.5733 -0.2697 1.7218 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.5604 -0.3922 3.0426 Si 0 0 0 0 0 4 0 0 0 0 0 0
-7.4614 0.4076 4.5083 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9503 0.5352 2.8688 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2090 -2.1819 3.4230 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7260 0.9460 -0.0499 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4224 2.4967 -0.0977 Si 0 0 0 0 0 4 0 0 0 0 0 0
-5.9094 3.5375 1.3703 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7684 3.3465 -1.6315 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2702 2.4866 -0.2181 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1875 -0.1246 -0.9026 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.8721 -0.4870 -2.5016 Si 0 0 0 0 0 4 0 0 0 0 0 0
-6.1164 -0.2186 -3.0513 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2834 -2.2899 -2.7861 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0607 0.5006 -3.5757 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0927 -2.1530 2.2313 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0659 -2.4317 -0.7765 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0445 -4.5836 0.0233 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3138 -3.7598 -1.5203 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5546 -2.3521 1.2081 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8651 -2.9572 0.1858 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6880 -1.0129 -0.6705 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9731 -1.5711 -1.7359 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5610 0.3715 -2.7975 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4356 0.0272 -1.2622 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2866 -1.2928 -2.5471 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3118 -2.7154 -3.0946 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8161 -1.6741 -3.2318 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8907 -2.9592 -1.9765 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7802 -3.0236 -0.0196 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8342 -1.9170 1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6119 -1.5882 0.6605 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9414 2.3173 2.2260 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4453 3.3191 2.2432 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7609 2.6493 3.7537 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4084 0.6701 1.6769 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0431 2.3465 2.1542 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4997 1.7138 0.5434 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1407 1.1174 4.6251 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1837 -0.5619 4.0631 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6160 0.1641 4.7361 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5871 2.6009 -1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7662 4.2525 -1.6805 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9598 3.4463 -0.0978 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4954 2.0908 -3.6296 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9643 1.1053 -3.1418 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2934 0.5364 -2.7219 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1248 4.7101 -1.7483 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8673 3.3781 -1.6373 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6197 4.0422 -0.1591 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7678 -1.4279 -1.7176 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7858 -0.2716 -0.2842 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5044 -3.2526 -0.3980 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4937 -2.3982 1.1264 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2522 -2.1071 -1.3722 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7177 -2.7807 0.1839 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4357 1.5109 4.2735 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5122 0.1252 4.5306 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8950 0.2412 5.4244 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5098 0.4897 1.8726 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2309 0.0122 3.5629 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0297 1.5644 3.2929 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6283 -2.8666 2.6487 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1114 -2.3144 3.4793 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6114 -2.4169 4.4282 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8277 3.4314 1.5854 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5387 3.2818 2.2725 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0965 4.6157 1.1892 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7534 2.9713 -1.8913 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6585 4.4283 -1.4259 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4881 3.2150 -2.4624 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6070 2.4860 -1.2824 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7645 1.7321 0.3882 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6281 3.4816 0.1765 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5068 0.1716 -2.2395 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6236 -1.1326 -3.4424 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1196 0.4747 -3.9484 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4447 -2.8307 -3.3158 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4901 -2.8092 -1.8235 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2358 -2.4138 -3.3793 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0692 0.4778 -3.1148 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1615 0.0377 -4.5792 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6799 1.5288 -3.7458 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