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
-1.6218 2.6857 1.0165 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1476 1.5284 0.9325 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1381 1.2289 1.5461 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6327 0.0084 1.4544 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9261 -0.3218 2.0633 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5490 0.5688 2.6691 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3840 -1.6240 1.9260 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6032 -2.0102 2.4782 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7905 -1.2412 1.9541 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9633 -1.3910 0.4583 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4792 -0.3734 -0.0159 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.2623 -1.2323 -1.2612 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7830 -0.8214 -2.8235 Si 0 0 0 0 0 4 0 0 0 0 0 0
5.6652 0.6381 -2.9490 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3136 -0.4789 -3.8719 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9444 -2.3122 -3.6153 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5270 -0.3753 1.3392 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6244 -1.6704 1.3266 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.8090 -3.2879 0.8740 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0397 -1.3634 0.1543 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3305 -1.8230 3.0686 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0667 1.1661 -0.5444 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2513 2.4221 0.5593 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.0945 1.9711 2.1348 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6310 3.2522 0.9841 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3110 3.7407 -0.2832 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8695 0.5527 0.2493 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1263 0.8009 -0.3615 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5783 -0.4943 -0.9965 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9179 -0.3508 -1.6762 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2887 0.1402 -0.5425 Si 0 0 0 0 0 4 0 0 0 0 0 0
-7.6910 -0.7551 -0.8849 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.6880 -2.3442 -0.3228 Si 0 0 0 0 0 4 0 0 0 0 0 0
-9.3703 -3.0880 -0.7617 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5081 -2.5157 1.5136 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4108 -3.4270 -1.1313 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9184 -0.0738 1.1147 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.5986 1.1268 2.1109 Si 0 0 0 0 0 4 0 0 0 0 0 0
-6.4260 2.8397 1.4203 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6890 1.0662 3.7592 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3802 0.7532 2.4120 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6836 1.8023 -0.8604 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.8078 1.9196 -2.1396 Si 0 0 0 0 0 4 0 0 0 0 0 0
-7.4081 0.7417 -3.5334 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6757 3.6572 -2.8409 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.5044 1.6301 -1.4702 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6779 1.9972 2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0586 -0.7343 0.9208 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7491 -3.1050 2.3011 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6141 -1.8948 3.5851 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6893 -1.6272 2.4793 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7096 -0.1694 2.1917 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0969 -2.4539 0.1747 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0467 -0.9905 -0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2224 1.6111 -2.8191 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3233 0.6883 -4.0267 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7467 0.5728 -2.3654 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0148 -0.2401 -4.9046 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9239 0.3281 -3.3964 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9140 -1.4083 -3.9029 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2989 -3.2546 -3.1536 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1527 -2.3123 -4.7236 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8479 -2.1537 -3.4690 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6446 -3.3001 -0.2218 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8796 -3.4527 1.4426 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5679 -4.0881 1.0894 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8797 -1.9466 -0.7746 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0638 -0.2687 -0.0531 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9832 -1.7293 0.6076 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5246 -2.2749 3.6884 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4786 -0.7971 3.4616 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2561 -2.4218 3.0544 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1671 1.7809 1.9447 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5810 1.2224 2.7430 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0923 2.9066 2.7715 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0755 3.4872 0.0373 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8855 4.2340 1.4558 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0275 2.6707 1.6942 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5474 4.5605 0.4218 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2487 3.2171 -0.5929 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8243 4.0888 -1.2196 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8945 1.4971 -1.2221 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8474 1.2348 0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8487 -0.7308 -1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5435 -1.3433 -0.2844 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7783 0.4543 -2.4409 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1736 -1.2818 -2.2255 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3848 -3.2809 -1.8518 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1104 -2.2751 -0.5866 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5775 -3.9814 -0.1594 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5337 -3.6276 1.7210 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3736 -2.1194 2.0790 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5291 -2.1878 1.8703 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6569 -4.4857 -0.8373 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3991 -3.3336 -2.2222 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4128 -3.1425 -0.7407 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3728 3.1668 0.9064 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3342 3.5408 2.2896 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5341 2.9754 0.8026 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6259 1.3393 3.5306 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6755 0.0233 4.1381 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1554 1.7644 4.4738 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8023 0.1820 1.5384 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4672 0.0913 3.3207 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9983 1.6428 2.6364 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5046 1.1347 -4.0539 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2207 -0.2892 -3.1728 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2510 0.7998 -4.2533 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4793 4.4000 -2.0609 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6365 3.8491 -3.3892 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8580 3.7090 -3.5794 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9350 0.6811 -1.8738 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1985 2.4904 -1.6497 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5103 1.4943 -0.3488 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