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
0.9967 -1.7684 0.5213 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3529 -0.5914 0.3271 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4914 0.4785 -0.0637 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7773 0.4648 -0.2871 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6749 -0.6470 -0.2012 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3799 -1.8145 0.1067 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0610 -0.4682 -0.4837 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9303 -1.5758 -0.3931 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3597 -1.1640 -0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7982 -0.0873 0.2766 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5442 0.4767 -0.0454 Si 0 0 0 0 0 4 0 0 0 0 0 0
-8.3554 0.7838 1.4474 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.6645 -0.0261 2.7660 Si 0 0 0 0 0 4 0 0 0 0 0 0
-8.9081 0.0998 4.1831 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0936 0.8001 3.3540 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4045 -1.8348 2.4159 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3822 -0.7520 -0.8909 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.0586 -0.7572 -0.5559 Si 0 0 0 0 0 4 0 0 0 0 0 0
-10.6953 0.9537 -0.1835 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.9375 -1.3565 -2.0950 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.4766 -1.9540 0.8110 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4837 1.9512 -0.8741 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.1203 1.8639 -2.5129 Si 0 0 0 0 0 4 0 0 0 0 0 0
-7.8436 0.3824 -3.3794 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8701 3.3920 -3.3333 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2901 1.8976 -2.8594 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7338 -0.3067 0.5148 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5787 -1.3800 0.9046 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0098 -0.9007 1.0694 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5625 -0.3334 -0.2012 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3180 0.2575 0.1002 Si 0 0 0 0 0 4 0 0 0 0 0 0
8.4155 -1.0285 -0.0206 O 0 0 0 0 0 0 0 0 0 0 0 0
10.0247 -0.4996 -0.2638 Si 0 0 0 0 0 4 0 0 0 0 0 0
10.2564 1.3075 0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5158 -0.9401 -2.0295 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1812 -1.4679 0.8500 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4417 1.1853 1.4921 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8300 0.4617 2.9382 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.4756 0.8998 4.1793 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3979 1.3098 3.6077 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1647 -1.3416 2.9368 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6716 1.3167 -1.2360 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0606 0.7464 -2.7081 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.2391 -1.0812 -2.9561 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0921 1.5820 -4.0673 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2761 1.2625 -2.9867 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9918 1.4926 -0.1991 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2622 1.4354 -0.5885 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6432 -2.3489 -1.1651 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8710 -2.0932 0.5761 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4300 -0.7655 -1.7350 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0226 -2.0371 -0.5543 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0808 0.7826 0.2397 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6522 -0.5387 1.2678 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5295 -0.4527 5.0702 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9018 -0.2675 3.8542 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0345 1.1751 4.4310 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3705 -0.0089 3.5865 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6568 1.4685 2.5698 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2689 1.3767 4.2843 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2071 -2.4264 2.8988 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5013 -2.0467 1.3306 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4406 -2.2005 2.8261 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.6880 1.1093 -0.6681 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0223 1.7164 -0.6562 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8363 1.1392 0.8927 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.9153 -1.8201 -1.8443 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2567 -2.0697 -2.6031 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0586 -0.4720 -2.7582 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4582 -1.4930 1.8124 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.4467 -2.4527 0.5908 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7204 -2.7643 0.7910 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9394 0.4232 -3.4227 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4996 0.4649 -4.4529 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4413 -0.5741 -3.0215 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9647 3.3983 -3.0634 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4511 4.3198 -2.8843 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7159 3.3833 -4.4180 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9823 2.8426 -3.3520 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9880 1.0837 -3.5816 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6916 1.6900 -1.9452 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2509 -1.7670 1.8890 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5491 -2.2218 0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5980 -1.7792 1.3998 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0868 -0.1374 1.8663 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5116 -1.1215 -0.9759 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9297 0.5072 -0.5857 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7167 1.7760 -0.8714 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0278 1.4819 0.8527 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3421 1.8467 0.3078 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0219 -1.8794 -2.3643 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6260 -1.0497 -2.0632 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2310 -0.1420 -2.7420 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1334 -1.7125 0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4575 -0.8115 1.7213 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6988 -2.3863 1.2335 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9202 0.9562 5.1851 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6863 0.1388 4.1848 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1199 1.9182 3.9267 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2377 0.8077 3.0886 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4355 1.1071 4.7075 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3283 2.3838 3.3891 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6447 -1.8459 3.7906 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8497 -1.8128 1.9965 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2685 -1.5127 2.9971 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2231 -1.4840 -3.2355 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5480 -1.6489 -2.0819 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9495 -1.3353 -3.7834 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6709 2.6018 -4.2732 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1294 1.7440 -3.7269 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0387 0.9929 -4.9859 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1799 1.6307 -4.0433 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5978 0.3858 -2.9380 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9710 2.1025 -2.3579 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