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
-1.6516 0.0407 -0.5668 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8335 1.1829 -1.0280 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7988 2.1167 -1.3135 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4690 1.9667 -1.1541 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2067 0.8472 -0.6542 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7280 -0.2384 -0.2574 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6134 0.9715 -0.6005 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3609 -0.1427 -0.0988 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8204 0.2571 -0.1753 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6497 -0.8907 0.3538 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4642 -0.4477 0.2742 Si 0 0 0 0 0 4 0 0 0 0 0 0
8.4395 -1.7366 0.8386 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6550 -2.9482 -0.3423 Si 0 0 0 0 0 4 0 0 0 0 0 0
10.4979 -3.3516 -0.3954 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7695 -4.5225 0.0896 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1544 -2.4163 -2.0357 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8332 0.0027 -1.3140 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3113 1.6175 -1.4769 Si 0 0 0 0 0 4 0 0 0 0 0 0
8.5045 2.0398 -3.2868 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0010 1.8281 -0.6936 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1380 2.8442 -0.7476 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7246 0.8943 1.3068 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5831 0.4937 2.7197 Si 0 0 0 0 0 4 0 0 0 0 0 0
8.5906 2.0089 3.8169 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6970 -0.9100 3.5788 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3022 -0.0207 2.2594 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1690 1.5414 -1.2726 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2220 0.6676 -1.0132 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3823 0.2493 0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5329 -0.6811 0.5648 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1953 -0.0411 0.1370 Si 0 0 0 0 0 4 0 0 0 0 0 0
-8.2748 -1.4168 0.1930 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.2781 -2.2875 -1.2550 Si 0 0 0 0 0 4 0 0 0 0 0 0
-7.7136 -4.0451 -0.9388 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2066 -1.5674 -2.5720 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.0592 -2.3776 -1.8599 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7342 0.9715 1.4216 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.6223 0.1110 2.5887 Si 0 0 0 0 0 4 0 0 0 0 0 0
-8.8189 1.1966 4.1006 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8101 -1.4698 3.1297 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.3344 -0.2099 1.8953 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3841 0.6456 -1.3746 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.2842 2.0848 -1.4501 Si 0 0 0 0 0 4 0 0 0 0 0 0
-10.0561 1.6352 -1.8459 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2793 3.0736 0.1081 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7017 3.1968 -2.8375 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1347 3.1029 -1.7278 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0850 2.8572 -1.4561 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1941 -1.0468 -0.6998 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0528 -0.3659 0.9422 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1115 0.5371 -1.2083 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9796 1.1309 0.4731 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3178 -1.0375 1.4159 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4740 -1.7711 -0.2707 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6953 -4.2281 -1.0476 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7615 -3.6611 0.6379 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0978 -2.4671 -0.6378 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3329 -4.9841 -0.8382 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9762 -4.2862 0.8301 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4621 -5.3001 0.4991 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0849 -2.0807 -2.0814 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1705 -3.3450 -2.6790 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8535 -1.7213 -2.5145 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3938 1.5872 -3.7314 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6316 3.1456 -3.3490 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5785 1.7955 -3.8426 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9380 2.2734 0.2981 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5637 0.8749 -0.6535 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6390 2.5218 -1.3053 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1149 2.7019 -1.1446 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4477 3.8571 -1.1446 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1672 2.9397 0.3372 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2344 2.7803 3.3597 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5633 2.4162 3.8878 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0406 1.7859 4.8113 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0471 -1.8753 3.1666 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9213 -0.8565 4.6576 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5999 -0.8624 3.4306 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3793 -0.5301 1.2801 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7041 -0.7623 3.0094 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9909 0.8685 2.2649 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0967 -0.2979 -1.6006 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1858 1.1127 -1.3486 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4387 -0.2044 0.8191 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5269 1.1865 1.0472 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5659 -0.9705 1.6578 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3447 -1.6388 0.0275 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0122 -4.3596 0.0841 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2377 -4.6853 -1.6969 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6351 -4.1454 -1.1412 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7141 -0.7838 -3.1835 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2346 -1.2243 -2.1737 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9520 -2.3753 -3.3162 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.6877 -2.5284 -0.9501 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3102 -1.3999 -2.2807 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1800 -3.2042 -2.5824 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7272 2.2765 3.8084 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0669 0.9816 4.8742 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8613 1.0890 4.4979 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8689 -1.2034 3.6451 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5524 -2.1439 2.2979 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5257 -1.9988 3.7881 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3067 -0.4517 0.8121 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8347 -1.0174 2.4748 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9432 0.7154 2.0006 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5259 1.0904 -1.0026 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.6662 2.5456 -2.0265 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0644 0.9451 -2.7044 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3057 3.1156 0.6221 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4903 4.1484 -0.1734 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1359 2.8219 0.7881 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4324 2.5394 -3.6938 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4677 3.9446 -3.0932 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7435 3.6730 -2.4846 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