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
-2.1059 -3.0839 1.5715 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9860 -2.3940 0.4816 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6880 -1.6885 0.3696 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2024 -1.8029 1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5030 -1.2273 1.4334 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1667 -1.5359 2.4993 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1720 -0.3865 0.5810 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5123 0.0652 0.8972 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4749 -1.0783 0.8722 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8811 -0.7115 1.2783 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5471 0.5987 0.1641 Si 0 0 0 0 0 4 0 0 0 0 0 0
8.2524 0.5017 0.0015 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0764 0.2358 1.4488 Si 0 0 0 0 0 4 0 0 0 0 0 0
8.6251 1.4737 2.7913 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9159 0.5223 1.1091 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9434 -1.4904 2.1138 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1899 2.1046 0.8775 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4196 3.4530 -0.1060 Si 0 0 0 0 0 4 0 0 0 0 0 0
5.9658 4.9629 0.9514 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1417 3.7000 -0.7095 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2150 3.4928 -1.5534 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8609 0.4214 -1.3873 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8503 -0.5603 -2.3435 Si 0 0 0 0 0 4 0 0 0 0 0 0
8.5326 0.2289 -2.5064 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1578 -0.7606 -4.0779 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0714 -2.2835 -1.6594 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9753 -2.3734 -0.4016 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2198 -3.0767 -0.2322 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1416 -2.8740 -1.4119 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5164 -1.4785 -1.6955 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3623 -0.5173 -0.3559 Si 0 0 0 0 0 4 0 0 0 0 0 0
-4.9583 0.2514 0.4476 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0931 1.9352 0.4372 Si 0 0 0 0 0 4 0 0 0 0 0 0
-6.3523 2.4158 1.7407 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4827 2.6741 -1.2197 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4421 2.6223 0.9778 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0696 -1.3421 0.8719 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.0332 -2.6602 0.7201 Si 0 0 0 0 0 4 0 0 0 0 0 0
-7.0896 -4.1834 1.3392 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6959 -3.0636 -0.9504 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.5522 -2.5459 1.8656 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1569 0.7637 -1.0658 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.7429 0.7458 -1.4799 Si 0 0 0 0 0 4 0 0 0 0 0 0
-9.9774 0.3355 -0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0503 -0.2624 -3.0438 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.1514 2.5435 -1.9914 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4902 -1.0987 -0.4986 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1350 -2.4615 2.1693 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4433 0.5611 1.8678 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7670 0.7592 0.0631 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5152 -1.5237 -0.1785 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1056 -1.9154 1.4852 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4736 -1.6566 1.1581 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8219 -0.4093 2.3465 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8395 0.9765 3.4287 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2629 2.4203 2.3940 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5001 1.5800 3.4794 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5083 0.3569 2.0299 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2052 -0.2689 0.3836 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0937 1.4834 0.6126 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8642 -2.2536 1.3206 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1170 -1.5492 2.8652 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8713 -1.7446 2.6988 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6239 4.8867 1.8557 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9061 4.9329 1.2058 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2817 5.8474 0.3753 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4506 4.7497 -0.5288 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1447 3.5835 -1.8149 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8870 3.0736 -0.2099 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4001 4.4756 -2.0746 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4091 2.6550 -2.2462 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1724 3.5551 -1.2002 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3046 -0.3234 -1.9130 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5809 1.2655 -2.1837 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8940 0.2019 -3.5582 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6274 -1.6814 -4.5016 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0673 -0.8639 -4.0513 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5075 0.0904 -4.6713 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6131 -2.9338 -2.4081 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1438 -2.7972 -1.4239 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7291 -2.2700 -0.7723 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9228 -4.1426 -0.1194 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6391 -2.6464 0.7161 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9233 -3.6401 -1.4746 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4695 -3.1695 -2.2978 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5897 -0.9565 -2.0867 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1688 -1.5033 -2.6206 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4650 1.5956 2.5094 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3312 2.6852 1.2913 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0275 3.2933 2.3363 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4736 3.1994 -1.1184 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7733 3.5127 -1.4906 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4316 1.9762 -2.0609 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2669 2.2882 2.0125 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4438 3.7323 0.8838 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6294 2.2365 0.3253 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2815 -3.8241 2.0125 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7489 -4.8345 1.9529 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6207 -4.7054 0.5064 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0821 -2.6770 -1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7896 -2.7840 -1.0614 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7321 -4.1830 -1.1128 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8109 -3.5946 2.1146 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3176 -1.9630 2.7534 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4361 -2.1793 1.2808 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5283 -0.5897 -0.4802 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5869 0.2270 0.8335 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8117 1.0952 -0.0792 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1107 -0.4899 -3.5822 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6805 -1.1585 -2.8411 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6641 0.3170 -3.7950 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0477 3.1939 -1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1278 2.5327 -2.4675 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4089 2.7855 -2.7852 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