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
-2.7099 3.4076 0.1874 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8376 2.9907 -0.6180 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4253 3.3240 -0.2636 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5462 2.9296 -1.0741 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9249 3.2323 -0.7774 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1956 3.8731 0.2700 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9783 2.8601 -1.5960 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3417 3.1997 -1.2960 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2488 2.6538 -2.3936 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1181 1.1447 -2.3658 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7258 0.5374 -0.6967 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.6556 1.7723 0.0054 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1375 1.5365 1.5968 Si 0 0 0 0 0 4 0 0 0 0 0 0
5.6955 2.0754 2.6953 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5371 -0.1981 2.0705 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5763 2.6922 1.9989 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3334 0.3278 0.2845 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6359 -1.2052 0.1875 Si 0 0 0 0 0 4 0 0 0 0 0 0
3.6519 -1.9082 -1.5366 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8434 -1.0756 0.7237 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5584 -2.3883 1.3042 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5110 -0.9475 -0.7935 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8672 -1.0810 -1.7355 Si 0 0 0 0 0 4 0 0 0 0 0 0
8.1892 0.2328 -2.9764 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8272 -2.7347 -2.6458 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3790 -1.1798 -0.6046 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1324 2.3040 -1.7172 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3156 1.8881 -2.2507 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0807 0.8318 -1.5565 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5093 1.1070 -0.1669 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6173 -0.3259 0.4241 Si 0 0 0 0 0 4 0 0 0 0 0 0
-4.6728 -1.4369 1.2842 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0672 -1.5301 2.9532 Si 0 0 0 0 0 4 0 0 0 0 0 0
-6.9085 -1.4478 3.2341 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1729 -0.2523 3.9647 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5108 -3.2344 3.5394 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7900 0.3643 1.4735 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.9148 1.3587 0.7014 Si 0 0 0 0 0 4 0 0 0 0 0 0
-7.6145 3.1782 1.0169 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0299 1.1012 -1.1384 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.6108 0.9597 1.4112 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2848 -1.0504 -0.9514 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.1759 -2.7354 -1.0088 Si 0 0 0 0 0 4 0 0 0 0 0 0
-7.6067 -3.5571 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5906 -3.4318 -0.3687 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3309 -3.2475 -2.8152 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2706 3.8719 0.6419 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2974 2.3711 -1.9735 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5459 2.7144 -0.3227 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4776 4.2779 -1.2045 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8727 3.0268 -3.3690 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2870 2.9230 -2.1926 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0154 0.9332 -2.4934 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5979 0.6362 -3.2121 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9874 1.2498 2.8550 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1625 2.4432 3.6513 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2504 2.9652 2.2030 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0645 -0.9814 1.4558 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6538 -0.3297 2.1155 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2218 -0.4310 3.1338 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4179 2.1136 2.4810 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2911 3.4699 2.7343 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9269 3.2385 1.1089 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7078 -2.0720 -1.9004 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1527 -1.2879 -2.2783 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1781 -2.9125 -1.5740 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2337 -0.8853 -0.1804 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5387 -2.1039 1.0846 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6924 -0.3153 1.5138 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9494 -1.8546 2.2042 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8726 -3.1839 1.6343 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4676 -2.7834 0.7588 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7881 0.0262 -3.9839 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3080 0.2987 -3.1357 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8807 1.2383 -2.6950 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7733 -2.9163 -3.1781 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9225 -2.8234 -3.2582 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7391 -3.5194 -1.8580 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2502 -1.5636 -1.1346 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1850 -1.8481 0.2661 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5552 -0.1667 -0.1552 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0168 2.8086 -2.4116 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1721 1.5852 -3.3401 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4538 -0.1313 -1.4995 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9423 0.4952 -2.2056 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5993 1.0545 0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0200 2.0442 0.0145 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4624 -1.7015 2.2896 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1566 -0.4472 3.6295 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2554 -2.2038 3.9841 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5990 0.7579 3.8941 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2705 -0.5563 5.0350 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0878 -0.2920 3.7115 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5498 -3.4986 3.0443 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3190 -3.9511 3.3212 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3448 -3.1959 4.6455 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5600 3.6878 1.2244 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1903 3.6804 0.1173 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8912 3.3317 1.8685 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7990 1.8182 -1.5201 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0619 1.3697 -1.6395 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3316 0.0726 -1.3707 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3975 1.6017 0.9652 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6424 1.1348 2.5142 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8873 -0.0959 1.2375 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3395 -2.7680 0.1323 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1275 -4.3032 -0.7365 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2749 -4.0711 0.8228 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2802 -4.3150 -0.9905 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7661 -2.6949 -0.4502 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6855 -3.8386 0.6564 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8533 -2.4741 -3.4159 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3266 -3.4444 -3.2612 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8987 -4.1941 -2.8900 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