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
-1.6418 0.6179 0.8511 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4779 -0.0845 1.9508 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4367 -1.0338 1.8779 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4819 -1.8492 1.7683 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2378 -1.9213 0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9009 -1.0968 -0.4194 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2234 -2.8298 0.2323 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9334 -2.8461 -1.0130 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7486 -1.5249 -1.0737 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6436 -1.6388 0.1477 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7857 -0.1856 0.3764 Si 0 0 0 0 0 4 0 0 0 0 0 0
4.8266 1.2179 0.1358 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1475 2.0752 -1.2753 Si 0 0 0 0 0 4 0 0 0 0 0 0
4.1506 3.6573 -1.2436 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6714 1.1435 -2.8230 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9579 2.5102 -1.3997 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2701 -0.2463 2.0192 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3195 0.9450 2.5311 Si 0 0 0 0 0 4 0 0 0 0 0 0
8.8418 1.1791 1.5213 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5047 2.6330 2.7286 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9018 0.4505 4.2607 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0780 -0.3192 -0.6896 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7410 -1.8496 -0.9118 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.8730 -2.8317 -2.2477 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8000 -2.7820 0.6896 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5083 -1.5774 -1.5465 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3402 0.2375 2.9300 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3952 1.1166 3.0556 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6512 0.7896 2.3473 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5738 0.6893 0.8715 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3285 0.3363 0.1847 Si 0 0 0 0 0 4 0 0 0 0 0 0
-6.9382 -1.0294 0.9729 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0956 -2.4679 0.7701 Si 0 0 0 0 0 4 0 0 0 0 0 0
-5.3973 -3.1004 2.4105 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3566 -3.7653 0.2062 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7485 -2.4396 -0.5001 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2980 1.6882 0.4554 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.7445 3.1202 -0.2224 Si 0 0 0 0 0 4 0 0 0 0 0 0
-5.8456 4.1754 1.0561 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6045 2.9476 -1.6764 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2665 4.0871 -0.8051 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1660 -0.0136 -1.4665 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.6318 -0.3739 -2.2449 Si 0 0 0 0 0 4 0 0 0 0 0 0
-9.0337 -0.1929 -1.0356 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5785 -2.1276 -2.9239 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9031 0.8038 -3.6833 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6804 -1.4904 3.1738 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8856 -2.5814 2.4948 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6981 -3.6294 -0.9351 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2962 -2.9676 -1.8860 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0949 -0.6631 -0.9866 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3216 -1.5720 -2.0054 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9388 -1.5996 1.0411 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1170 -2.6153 0.2019 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6517 3.8239 -2.2185 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8617 4.5183 -1.1275 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4456 3.6809 -0.3919 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8006 1.8891 -3.6644 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6002 0.8862 -2.8146 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3603 0.3074 -3.0583 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3000 2.9036 -0.3965 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0957 3.3431 -2.1508 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6017 1.6743 -1.7139 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2568 2.1813 1.7622 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6966 1.1574 0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6416 0.4496 1.8469 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3274 3.2879 3.1315 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6979 2.6199 3.4869 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2244 3.0204 1.7464 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1509 0.7673 4.9990 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9258 -0.6681 4.2935 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9196 0.8275 4.4548 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0880 -3.4389 -1.7780 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3838 -2.1296 -2.9822 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5502 -3.5475 -2.7464 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8734 -3.0847 0.8645 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5416 -2.1196 1.5193 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1870 -3.7091 0.6823 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0187 -0.8590 -0.8863 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4086 -1.0674 -2.5263 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0490 -2.5336 -1.5830 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5966 1.2995 4.1732 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0376 2.1519 2.7202 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0250 -0.2250 2.7613 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4868 1.4649 2.7203 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9966 -0.2471 0.6305 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1121 1.5220 0.3379 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2916 -3.1763 2.3162 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7606 -2.4515 3.1986 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8173 -4.1082 2.5891 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3664 -3.3288 0.2276 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1092 -4.1554 -0.8062 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3677 -4.6287 0.8983 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8148 -3.3385 -1.1986 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7627 -2.5644 0.0367 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7502 -1.5726 -1.1403 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2386 3.5531 1.7310 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5273 4.8661 1.5729 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0922 4.8487 0.5398 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1911 1.9477 -1.8165 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1011 3.3374 -2.6057 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7050 3.6220 -1.5086 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1010 3.8064 -0.1125 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0683 5.1600 -0.8424 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5427 3.7103 -1.7973 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1440 0.8358 -0.6741 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9644 -0.4690 -1.6024 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8970 -0.9349 -0.2151 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6941 -2.0773 -4.0094 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3914 -2.7231 -2.4220 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5880 -2.5755 -2.6969 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9703 0.2379 -4.6532 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8479 1.3634 -3.5062 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0649 1.4942 -3.7319 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