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
2.0293 -2.8829 1.7325 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5175 -2.7706 0.6092 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2115 -2.1768 0.4592 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3360 -2.0535 -0.7275 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6860 -1.4301 -0.8023 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2369 -1.0534 0.2592 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3336 -1.2567 -1.9613 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5142 -0.7362 -2.3509 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8540 0.6853 -2.2338 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9849 1.3690 -0.9267 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3564 0.7152 0.1580 Si 0 0 0 0 0 4 0 0 0 0 0 0
-6.4103 1.9558 0.5315 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.3328 3.4004 -0.2909 Si 0 0 0 0 0 4 0 0 0 0 0 0
-6.4588 3.3029 -2.1332 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8550 4.4131 0.2652 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8592 4.4019 0.2857 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5659 0.2334 1.6354 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2313 -1.1470 2.3262 Si 0 0 0 0 0 4 0 0 0 0 0 0
-6.9430 -0.7553 2.9583 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2093 -2.6510 1.2564 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1861 -1.5354 3.8519 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0568 -0.6053 -0.6206 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.6878 -0.6219 -0.8864 Si 0 0 0 0 0 4 0 0 0 0 0 0
-8.7446 0.5104 0.0677 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0013 -0.2943 -2.7221 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3044 -2.3854 -0.5754 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2660 -3.2414 -0.4646 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5430 -3.8131 -0.2915 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5143 -2.8357 0.3386 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6512 -1.5939 -0.5565 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8352 -0.4441 0.2609 Si 0 0 0 0 0 4 0 0 0 0 0 0
5.5100 1.1879 0.0410 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0665 1.5939 -0.7146 Si 0 0 0 0 0 4 0 0 0 0 0 0
3.7572 0.7921 -2.3400 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6188 1.3324 0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1199 3.4664 -1.0052 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7707 -0.7498 1.9656 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2918 -1.0507 2.6427 Si 0 0 0 0 0 4 0 0 0 0 0 0
8.3291 -2.2529 1.6993 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9866 -1.7680 4.3623 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2118 0.5675 2.9189 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4362 -0.8668 -0.2332 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1362 0.2872 -1.2578 Si 0 0 0 0 0 4 0 0 0 0 0 0
8.1742 1.9755 -0.5019 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9289 -0.2381 -1.5285 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3485 0.3286 -2.9525 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3016 -1.8353 1.3679 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1930 -2.3983 -1.5921 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3853 -1.3959 -1.9874 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5913 -0.9618 -3.4887 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0391 1.2670 -2.7986 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8032 0.8746 -2.8317 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0061 1.3467 -0.4009 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1317 2.4893 -1.0851 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5166 3.6809 -2.5773 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2530 3.9872 -2.5468 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6626 2.2999 -2.5132 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6978 5.4681 0.0434 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0497 4.2237 1.3339 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7465 4.0699 -0.2976 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2120 3.7463 0.9077 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3125 4.8077 -0.5913 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1548 5.2305 0.9708 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0948 -1.0991 4.0050 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0934 0.3635 2.9964 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7368 -1.2370 2.3500 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4896 -3.4402 1.6262 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9433 -2.4782 0.2103 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2216 -3.1410 1.3597 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2893 -0.6893 4.5300 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1520 -1.6915 3.5196 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5912 -2.4676 4.3404 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3945 0.8510 1.0362 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0087 1.4344 -0.5279 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7553 0.0387 0.2625 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4436 0.7371 -2.8561 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0802 -0.3461 -3.3066 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7856 -0.9780 -3.1094 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6813 -2.4602 0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4956 -3.1087 -0.6865 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1478 -2.6370 -1.2301 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9351 -4.0496 -1.3018 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5408 -4.7253 0.3023 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5039 -3.3356 0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3076 -2.5868 1.3757 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6565 -1.1742 -0.7641 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1268 -1.9892 -1.4993 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7211 1.5525 -3.1749 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7174 0.3550 -2.3415 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4916 0.0276 -2.6378 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2344 0.3138 0.4394 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8073 2.0353 0.1187 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9557 1.6669 1.4706 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1177 3.8861 -1.0876 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7339 3.9566 -0.2293 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6445 3.6555 -1.9837 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7435 -2.8383 0.9643 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2219 -1.7711 1.2349 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7638 -3.0368 2.3886 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1340 -2.4691 4.2564 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8783 -2.2923 4.7328 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6658 -0.9144 4.9893 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4914 1.4241 2.9141 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7041 0.5919 3.9088 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9382 0.7581 2.1175 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6505 2.0001 0.4684 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7444 2.7217 -1.2036 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2176 2.3370 -0.2927 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3027 -0.6379 -0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5284 0.6237 -1.8918 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9213 -1.0331 -2.3016 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0895 0.5648 -3.7497 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8861 -0.6419 -3.2247 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5935 1.1653 -2.9874 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