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
1.9529 -0.2299 1.8889 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3491 0.4059 0.9917 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0177 0.0678 0.6512 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6124 -0.9166 1.2944 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0042 -1.2547 0.9419 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6150 -2.1833 1.5205 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6886 -0.5596 -0.0411 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0224 -0.8955 -0.3707 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5612 0.0070 -1.4608 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9799 -0.3562 -1.8124 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1456 -0.2216 -0.3821 Si 0 0 0 0 0 4 0 0 0 0 0 0
-7.5003 -1.7558 0.2512 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.7157 -2.9641 -0.9367 Si 0 0 0 0 0 4 0 0 0 0 0 0
-6.1549 -3.9638 -1.1541 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2315 -2.2962 -2.5792 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0651 -4.1064 -0.3028 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3591 0.6772 0.8574 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.6069 2.3476 0.7381 Si 0 0 0 0 0 4 0 0 0 0 0 0
-7.5062 2.8799 -0.7851 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4621 2.9735 2.2941 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9154 3.1847 0.7089 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6236 0.5406 -0.7884 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.8916 0.1025 0.2891 Si 0 0 0 0 0 4 0 0 0 0 0 0
-10.7422 1.6776 0.8358 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.1771 -0.9476 -0.5682 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.2693 -0.7614 1.8008 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0404 1.4247 0.3573 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3527 1.8127 0.6240 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3463 0.6748 0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7091 1.2222 0.7157 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0797 0.0106 0.5266 Si 0 0 0 0 0 4 0 0 0 0 0 0
8.5370 0.6161 0.0174 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7147 2.2408 -0.2900 Si 0 0 0 0 0 4 0 0 0 0 0 0
10.5648 2.5495 -0.5528 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8909 2.7339 -1.9178 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1491 3.3773 1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3291 -0.6397 2.1300 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9423 -0.9566 2.4746 Si 0 0 0 0 0 4 0 0 0 0 0 0
9.6738 0.5292 3.3555 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9777 -2.3651 3.7341 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9792 -1.4532 1.0370 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5231 -1.3467 -0.3519 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8563 -1.3810 -1.9862 Si 0 0 0 0 0 4 0 0 0 0 0 0
5.5607 -0.4797 -3.0260 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5513 -0.8579 -2.4874 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6873 -3.1966 -2.5162 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5230 0.6131 -0.1089 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1405 -1.4961 2.0702 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9943 -1.9417 -0.7531 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6137 -0.8461 0.5637 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4260 1.0718 -1.2123 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9454 -0.1982 -2.3631 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3034 0.2726 -2.6668 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9673 -1.4065 -2.1601 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6742 -3.7804 -2.1263 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5064 -3.7416 -0.2801 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4088 -5.0342 -1.1276 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5873 -2.6493 -3.4117 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3126 -1.1886 -2.5976 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2465 -2.6696 -2.8171 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6828 -4.6836 0.5584 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8921 -3.4694 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4314 -4.7710 -1.1253 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1500 3.9102 -1.0826 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2402 2.2257 -1.6287 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5904 2.9944 -0.6148 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7493 3.3972 3.0065 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9310 2.0851 2.8070 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2383 3.7241 2.0401 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0001 4.1907 1.1781 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6264 3.3367 -0.3479 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1501 2.5507 1.1852 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8247 2.3333 -0.0341 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.7440 1.4343 1.2533 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1628 2.1392 1.6550 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5567 -1.7419 0.1067 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.0760 -0.3401 -0.8448 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7627 -1.3432 -1.5129 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8984 -0.5032 2.7026 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2414 -0.4731 2.0873 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3065 -1.8494 1.7257 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4474 2.2171 1.6741 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6037 2.6572 -0.0481 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1459 -0.1533 1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1963 0.3223 -0.6097 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6808 1.5651 1.7680 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9187 2.1724 0.1411 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0338 2.4988 0.4501 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7370 3.5325 -1.0078 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9813 1.7150 -1.1379 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9034 2.2904 -2.0348 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8643 3.8632 -1.9338 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6040 2.4601 -2.7194 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7041 2.8214 1.8926 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4486 4.1696 0.6652 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0098 3.9267 1.4604 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7574 0.3921 3.5360 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1623 0.5802 4.3465 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4393 1.4630 2.8300 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9660 -2.3678 4.2454 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1408 -2.2912 4.4329 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9185 -3.3117 3.1609 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4658 -2.0899 0.3177 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4841 -0.5657 0.5542 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8446 -2.0565 1.4410 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6070 -1.0452 -2.8455 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4015 0.5376 -2.6719 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8660 -0.5671 -4.0713 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4468 0.0998 -3.0782 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0202 -1.5598 -3.2418 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2855 -0.7822 -1.6845 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6205 -3.5153 -2.4398 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9722 -3.2681 -3.5796 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3276 -3.8298 -1.8771 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