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
1.7030 -0.0523 -1.5457 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0972 0.3753 -0.5403 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0664 -0.3923 -0.0899 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7304 0.0303 0.9689 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9113 -0.7205 1.4520 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5438 -0.3180 2.4593 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2983 -1.8541 0.7844 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4081 -2.6298 1.1711 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6705 -1.7970 1.1197 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9105 -1.2731 -0.3009 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4592 -0.2710 -0.2762 Si 0 0 0 0 0 4 0 0 0 0 0 0
-6.3537 0.8745 -1.5664 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2524 2.4753 -1.0135 Si 0 0 0 0 0 4 0 0 0 0 0 0
-8.0036 3.1323 -0.8141 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2722 2.6753 0.5399 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4173 3.4851 -2.3547 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8757 -1.1631 -0.4937 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.7273 -2.5340 -1.4727 Si 0 0 0 0 0 4 0 0 0 0 0 0
-7.2491 -4.0528 -0.4879 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4361 -2.8929 -2.1903 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5647 -2.2995 -2.9029 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5424 0.6260 1.1840 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.9213 0.2737 2.1063 Si 0 0 0 0 0 4 0 0 0 0 0 0
-8.2322 1.7184 3.2552 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6000 -1.2317 3.1973 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4456 0.0161 1.0862 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5435 1.4999 0.0607 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5980 2.3343 -0.1861 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9872 1.8996 0.0587 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4974 0.6881 -0.6433 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3167 0.4010 -0.2497 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.1351 1.8554 -0.6772 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8874 1.6933 -2.1910 Si 0 0 0 0 0 4 0 0 0 0 0 0
8.4027 3.4120 -2.7746 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7296 1.0101 -3.4723 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4515 0.6815 -2.0691 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4696 0.1840 1.4315 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7621 1.0460 2.1138 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.5600 1.0018 3.9774 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7766 2.8374 1.5975 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3607 0.2430 1.6070 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9657 -0.8565 -1.1714 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7510 -2.3995 -0.5155 Si 0 0 0 0 0 4 0 0 0 0 0 0
5.8299 -3.4713 -1.7503 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4577 -3.1811 -0.3163 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9388 -2.4110 1.1403 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3955 -1.2841 -0.5913 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4157 0.9235 1.4861 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2838 -2.9468 2.2272 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5420 -3.5296 0.5687 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5427 -2.4647 1.3407 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6950 -0.9971 1.8683 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9444 -2.1605 -0.9434 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0482 -0.6042 -0.5657 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3448 2.9513 0.2241 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0378 4.2125 -1.0774 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6307 2.6132 -1.5619 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5833 3.5682 0.4699 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5921 1.8099 0.6823 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8944 2.8541 1.4420 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3661 3.6942 -2.0736 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9081 4.4821 -2.4532 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4574 2.9535 -3.3293 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7752 -4.0576 0.4888 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1634 -4.1564 -0.4166 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6267 -4.9372 -1.0583 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5165 -3.9546 -2.4834 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1741 -2.6067 -1.4163 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6244 -2.2525 -3.0780 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1048 -2.3095 -3.8697 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0670 -1.2856 -2.8717 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8090 -3.1112 -2.9704 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2722 1.9830 3.7062 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6135 2.5448 2.6232 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9878 1.3813 3.9973 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5460 -1.2218 3.5552 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3276 -1.2509 4.0261 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7429 -2.1459 2.5889 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4020 0.5032 0.1009 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6504 -1.0823 1.0245 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3633 0.4399 1.5877 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4149 3.3052 0.3799 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5633 2.7252 -1.2711 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7222 2.7455 -0.1297 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1046 1.7534 1.1858 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3734 0.7884 -1.7238 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9222 -0.2185 -0.3164 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4958 4.0141 -2.8617 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7923 3.2645 -3.8079 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1814 3.8312 -2.1273 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0062 1.8059 -3.7291 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1811 0.1250 -3.1548 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3438 0.7088 -4.3605 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2578 -0.3987 -1.9727 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1039 0.8348 -2.9432 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0156 1.0424 -1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5252 1.2803 4.2065 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2639 1.6979 4.4736 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7010 -0.0512 4.2887 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1339 3.4659 2.4648 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5166 3.0387 0.7883 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7865 3.2132 1.3294 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6199 -0.5281 2.3672 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1870 -0.2920 0.6499 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1707 0.9799 1.4485 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9795 -2.8615 -2.1577 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5648 -3.7253 -2.5483 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4554 -4.3914 -1.2872 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0437 -2.8395 -1.2156 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3882 -4.2833 -0.4197 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9594 -2.8432 0.5918 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0618 -1.7520 1.1909 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5814 -3.4643 1.3323 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7020 -2.1947 1.9136 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