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
-1.7616 1.0628 1.2388 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7172 0.5800 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4727 0.0423 -0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6070 0.0473 0.2796 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9023 -0.4725 -0.1867 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0021 -0.9294 -1.3651 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0084 -0.4792 0.6125 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2901 -0.9403 0.2789 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8348 -0.1142 -0.8485 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2065 -0.5127 -1.2975 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5414 -0.3308 -0.0705 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.9841 -0.4437 1.5292 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3767 0.8964 2.4899 Si 0 0 0 0 0 4 0 0 0 0 0 0
9.1989 0.7974 2.9385 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3462 0.9547 4.0527 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0700 2.4659 1.5457 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7925 -1.4938 -0.2559 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2311 -3.0640 -0.5489 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.7524 -3.5327 0.4546 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9155 -3.3276 -2.3835 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6431 -4.2316 -0.0807 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3209 1.2142 -0.2170 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7720 1.1245 -1.0884 Si 0 0 0 0 0 4 0 0 0 0 0 0
9.4730 0.7768 -2.9039 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9414 -0.1548 -0.3963 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5683 2.8314 -1.0051 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8498 0.5605 -0.6717 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1274 1.0246 -0.3164 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6279 0.3134 0.8900 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9919 0.7106 1.3759 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3716 0.3993 0.2001 Si 0 0 0 0 0 4 0 0 0 0 0 0
-7.0310 1.1577 -1.2842 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.5266 2.7451 -1.4622 Si 0 0 0 0 0 4 0 0 0 0 0 0
-8.0985 3.6153 0.0496 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.8016 2.8128 -2.8367 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0369 3.7208 -2.1233 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.8118 1.0926 0.8176 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.2312 0.4781 0.1397 Si 0 0 0 0 0 4 0 0 0 0 0 0
-11.3631 1.9313 -0.2642 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.1282 -0.5054 1.4696 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.9983 -0.5138 -1.3952 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5815 -1.2681 -0.1381 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.6370 -2.2831 1.1985 Si 0 0 0 0 0 4 0 0 0 0 0 0
-8.9055 -3.6339 0.8156 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1559 -1.5003 2.7830 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9941 -3.1932 1.3963 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4858 -0.3461 -1.4851 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5664 0.4414 1.2748 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2610 -2.0327 -0.0161 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8855 -0.9182 1.2078 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8761 0.9654 -0.5565 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1060 -0.1554 -1.6886 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1056 -1.5497 -1.7078 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4022 0.1013 -2.2363 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7458 1.4033 2.1913 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3613 1.1945 3.9766 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4886 -0.2726 2.8913 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1933 -0.0459 4.4720 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3766 1.4430 3.7628 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8518 1.6560 4.7498 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4778 3.2028 2.1597 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4546 2.3127 0.6365 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0186 2.9797 1.2701 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5035 -2.6854 1.1285 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9658 -4.4271 1.0654 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8748 -3.8041 -0.1718 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6456 -4.0125 -2.8204 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0302 -2.3594 -2.8837 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8667 -3.6908 -2.5485 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6632 -4.3415 1.0357 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6134 -3.7777 -0.3722 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4668 -5.2165 -0.5676 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8771 1.5948 -3.3548 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8922 -0.1384 -3.0369 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4470 0.7388 -3.4312 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6686 -0.4177 0.6493 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9638 0.2864 -0.4543 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9731 -1.0812 -0.9937 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7547 3.5653 -1.1312 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0236 3.0140 -0.0044 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3074 2.9577 -1.8350 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0132 2.1273 -0.1265 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7878 0.9499 -1.2041 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5870 -0.7920 0.7129 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9161 0.5415 1.7394 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9429 1.8328 1.5312 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1591 0.2938 2.3937 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8140 3.1555 1.0111 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6675 4.6629 0.1196 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2077 3.8175 0.0454 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3668 1.8625 -2.9180 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4760 3.6755 -2.7379 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3005 2.9210 -3.8443 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3917 4.0205 -1.2884 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4157 4.6208 -2.6810 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5057 3.1040 -2.8577 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.4097 1.5049 -0.2612 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.2842 2.7131 0.4922 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.1795 2.2358 -1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0187 -0.0168 2.4585 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.2367 -0.4773 1.2509 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8534 -1.5735 1.4574 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.6764 -0.1554 -2.2259 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9782 -0.4632 -1.8219 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3282 -1.5824 -1.2501 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3697 -3.4936 -0.1759 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7139 -3.6648 1.5638 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4519 -4.6383 0.8063 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2633 -1.5369 3.4754 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9791 -2.0646 3.3017 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3907 -0.4431 2.6588 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3146 -2.6279 2.0669 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1972 -4.2142 1.7789 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5835 -3.3103 0.3727 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