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
0.3402 1.0787 -0.1288 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0766 0.1585 -0.5116 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5264 -1.2497 -0.5003 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5781 -1.4070 -0.0155 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8550 -1.6015 0.5427 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4349 -2.7052 0.6668 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5906 -0.4832 1.0181 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8325 -0.6394 1.6476 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5675 0.6812 1.7242 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1530 1.1094 0.3878 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5668 -0.0780 -0.1021 Si 0 0 0 0 0 4 0 0 0 0 0 0
-6.0963 -0.6939 -1.6224 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.1903 -1.6752 -2.4169 Si 0 0 0 0 0 4 0 0 0 0 0 0
-7.9985 -2.9757 -1.3371 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5068 -0.7514 -3.3456 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1920 -2.6758 -3.6947 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5228 -1.3583 1.0027 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.7150 -1.5886 2.1111 Si 0 0 0 0 0 4 0 0 0 0 0 0
-7.1538 -0.8997 3.7934 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8658 -3.4660 2.3902 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.3807 -0.9020 1.8168 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0017 0.7728 -0.0880 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.9929 2.4471 -0.0690 Si 0 0 0 0 0 4 0 0 0 0 0 0
-7.3224 3.2251 -1.6526 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3086 3.2504 1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.8478 2.9449 -0.0856 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3618 0.4292 -0.9107 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9610 1.7066 -0.9111 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4674 1.5588 -1.1799 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0388 0.6785 -0.0799 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8635 0.3987 -0.1617 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.1437 -1.2653 -0.2586 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6776 -2.0433 -1.6652 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.1990 -0.9783 -3.0874 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2848 -3.2106 -1.2593 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1551 -3.1045 -2.2254 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6493 1.3294 -1.3449 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2763 2.7978 -0.7511 Si 0 0 0 0 0 4 0 0 0 0 0 0
8.0437 4.0614 -2.1322 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2748 3.3999 0.7139 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0836 2.7171 -0.3277 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5896 0.8976 1.3589 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7518 -0.2690 1.8536 Si 0 0 0 0 0 4 0 0 0 0 0 0
10.0225 -0.5615 0.5460 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9733 -1.8838 2.3414 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6007 0.4120 3.3686 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2358 -1.9914 -0.9594 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5029 -2.7839 -0.3445 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7209 -0.9860 2.6990 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3822 -1.3822 1.0835 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7869 1.4761 1.9423 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2963 0.6707 2.5070 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4220 2.1306 0.3454 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2828 0.9847 -0.3348 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9293 -2.5948 -0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2901 -3.3900 -0.6157 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3058 -3.8105 -2.0181 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4235 -0.7515 -2.7126 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2022 0.2719 -3.6088 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7128 -1.3030 -4.2913 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6499 -3.4494 -3.0925 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4108 -2.0331 -4.1152 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8414 -3.1599 -4.4294 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7264 -1.3706 4.6180 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0729 -1.1294 3.8584 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2913 0.2013 3.7214 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6603 -3.6339 3.4635 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9528 -3.7274 2.1433 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1397 -4.0220 1.8062 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4586 0.1855 1.7544 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8067 -1.3105 0.8842 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0805 -1.2776 2.6297 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4237 2.7024 -2.0115 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1052 4.2822 -1.4565 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1233 3.1344 -2.4269 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0452 3.8513 2.0265 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4544 3.9383 1.1513 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8651 2.5170 2.1801 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9024 4.0136 -0.3606 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1780 2.8662 0.9517 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3885 2.3126 -0.8067 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4612 2.3264 -1.6669 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8092 2.2146 0.0526 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9423 2.5456 -1.1197 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5629 1.1688 -2.1885 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7526 1.0771 0.9114 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4623 -0.2820 -0.1642 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5805 -1.4546 -4.0336 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1011 -0.9335 -3.2434 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6786 0.0160 -3.0462 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7071 -2.7618 -0.4091 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5874 -3.2241 -2.1144 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6946 -4.1964 -1.0205 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0041 -2.4758 -2.4589 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4295 -3.7129 -1.3343 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8389 -3.8034 -3.0044 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5957 4.9715 -1.9049 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9452 4.2644 -2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3596 3.6069 -3.1033 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0302 4.4643 0.5494 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8536 3.2726 1.6555 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3078 2.8518 0.8117 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5703 3.7184 -0.5055 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2134 2.5336 0.7563 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5911 1.9962 -0.9684 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3844 -1.6140 0.6377 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9006 0.0966 0.7573 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6281 -0.4578 -0.4823 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5969 -2.4157 3.1170 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9747 -1.7486 2.8220 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9082 -2.5904 1.4920 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9318 1.4557 3.2283 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9855 0.2710 4.2911 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5227 -0.2003 3.5308 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