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
0.7284 0.9004 -0.1484 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9861 0.1139 0.7643 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1230 -1.0014 1.0735 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9753 -1.4008 0.5344 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7359 -0.8799 -0.5651 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3932 0.1333 -1.1987 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9302 -1.4845 -1.0020 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6598 -0.9230 -2.0920 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8873 -1.7226 -2.3889 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8710 -1.8801 -1.2963 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6010 -0.3102 -0.7007 Si 0 0 0 0 0 4 0 0 0 0 0 0
-8.1650 -0.1353 -1.4201 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.2501 -1.3460 -0.9459 Si 0 0 0 0 0 4 0 0 0 0 0 0
-9.4980 -2.5234 -2.3808 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6775 -2.3188 0.5388 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.9380 -0.6445 -0.5285 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6868 1.0376 -1.1785 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.6309 2.1823 -2.0656 Si 0 0 0 0 0 4 0 0 0 0 0 0
-7.1399 1.4689 -3.6907 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0855 2.7595 -1.0478 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5267 3.6645 -2.3787 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8097 -0.2657 0.9886 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4387 0.1173 1.8852 Si 0 0 0 0 0 4 0 0 0 0 0 0
-4.4224 -1.3853 2.3558 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3806 1.4118 1.0791 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0303 0.8623 3.5192 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1543 0.3321 1.5064 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0598 1.3749 1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6904 1.4957 -0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4769 0.3487 -0.5192 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8992 -0.2152 0.5140 Si 0 0 0 0 0 4 0 0 0 0 0 0
5.6161 -1.9349 0.7317 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0371 -2.7959 0.9936 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.6344 -4.6470 1.0249 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7670 -2.4074 2.6703 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3505 -2.5149 -0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9093 0.4058 2.0662 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0522 1.4500 2.5992 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.6033 3.2470 2.5850 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6996 1.2580 1.7506 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3823 1.0427 4.4303 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3322 -0.1607 -0.3487 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4787 0.8035 -1.6917 Si 0 0 0 0 0 4 0 0 0 0 0 0
9.3215 0.9741 -2.1112 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7348 2.5049 -1.5526 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7117 -0.0503 -3.1639 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4681 -1.6409 1.9430 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4244 -2.3193 1.0028 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9982 -1.0469 -3.0146 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8062 0.1552 -2.0209 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5265 -2.7391 -2.7140 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4364 -1.3234 -3.2781 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3683 -2.4655 -0.4826 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7055 -2.5399 -1.6882 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5656 -2.8190 -2.4779 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8574 -3.4229 -2.2998 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2104 -1.9942 -3.3104 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5957 -2.4545 0.5603 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1560 -3.3267 0.5465 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9670 -1.8405 1.5001 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5471 -0.4850 -1.4439 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.4791 -1.4000 0.0832 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8115 0.2550 0.0791 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1182 0.9262 -3.5827 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3198 2.2557 -4.4674 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3453 0.7882 -4.0557 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9072 3.0125 -1.7381 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4740 1.9620 -0.3845 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7746 3.6572 -0.4819 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1025 4.0562 -1.4164 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7497 3.3888 -3.1036 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1730 4.4422 -2.8621 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0731 -1.8718 1.4407 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5185 -0.9979 2.8748 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0097 -2.0844 2.9683 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6631 1.7712 1.8600 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8308 0.9830 0.2179 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0217 2.2484 0.7895 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1876 0.8356 4.2499 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3334 1.9177 3.3767 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8520 0.2414 3.9235 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7716 1.3946 2.1728 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4501 2.3221 1.4805 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2958 2.4204 -0.0951 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8401 1.6862 -0.7446 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8675 0.5443 -1.5618 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7752 -0.4969 -0.6642 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4645 -5.1434 1.5745 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5582 -5.0373 0.0034 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7192 -4.7644 1.6139 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0872 -3.3452 3.1984 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6574 -1.7770 2.6110 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9673 -1.9831 3.3398 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9833 -3.4405 -0.2926 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9349 -2.4027 -1.3051 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0258 -1.7015 0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1210 3.6070 1.6824 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0169 3.4600 3.5133 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5608 3.8202 2.7064 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8125 0.2416 1.3769 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5528 1.3903 2.4850 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8874 2.0598 1.0005 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5602 -0.0218 4.5716 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5728 1.4635 5.0650 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3237 1.5711 4.7530 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6397 0.1873 -2.8269 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9390 0.8517 -1.2045 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5008 1.9493 -2.6047 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4590 3.2963 -1.9148 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6337 2.7166 -0.4705 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8349 2.6548 -2.1469 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1351 -0.9603 -2.8869 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0066 0.6519 -3.6488 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4711 -0.2810 -3.9493 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