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
-1.5565 0.0649 -0.4414 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7170 -0.5044 0.6276 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6637 -0.7585 1.5676 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5898 -0.4502 1.4724 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2590 0.2230 0.4103 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7395 0.6371 -0.6362 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6624 0.4615 0.5280 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3506 1.1286 -0.5118 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7852 1.2503 -0.1155 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4360 -0.0912 0.1083 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2080 0.1075 0.6056 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.5994 -1.2103 1.6338 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2058 -2.5702 0.8537 Si 0 0 0 0 0 4 0 0 0 0 0 0
9.8942 -2.2439 0.0766 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5087 -3.8680 2.1966 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0595 -3.3434 -0.3767 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1779 1.4845 1.6865 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7134 2.1364 1.9449 Si 0 0 0 0 0 4 0 0 0 0 0 0
8.7810 2.6846 3.7490 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1127 0.9888 1.5518 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8733 3.7047 0.9187 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3150 0.4266 -0.5632 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9592 0.6967 -2.1356 Si 0 0 0 0 0 4 0 0 0 0 0 0
9.4950 0.2822 -3.1752 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6697 2.5347 -2.4257 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5621 -0.2232 -2.9068 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0236 -0.9267 0.9322 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0652 -0.6928 0.0523 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3574 0.7524 -0.2145 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5169 0.9175 -1.1807 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0960 0.1633 -0.5379 Si 0 0 0 0 0 4 0 0 0 0 0 0
-8.3851 1.2290 -0.9167 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.2187 0.8198 -2.3308 Si 0 0 0 0 0 4 0 0 0 0 0 0
-9.7754 2.4340 -3.1309 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2181 -0.0971 -3.5792 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.7718 -0.1011 -1.8576 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3628 -1.2753 -1.3943 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.8322 -2.6094 -0.5075 Si 0 0 0 0 0 4 0 0 0 0 0 0
-6.3919 -3.7552 -0.0865 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.7264 -2.2436 1.0663 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9944 -3.6443 -1.5795 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9289 -0.0646 1.1352 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.5541 1.2225 2.0316 Si 0 0 0 0 0 4 0 0 0 0 0 0
-9.1890 0.7271 2.7864 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3787 1.5494 3.4687 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7681 2.7945 1.0914 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9832 -1.3036 2.5187 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2417 -0.7568 2.3513 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2781 0.4855 -1.4367 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9459 2.1387 -0.6842 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8134 1.7771 0.8833 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3708 1.9000 -0.7920 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9063 -0.4988 1.0285 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2389 -0.8370 -0.6569 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6993 -2.3034 0.8457 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1323 -3.0212 -0.6732 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9547 -1.2180 -0.3388 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5140 -4.1329 2.5890 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0772 -3.4224 3.0355 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0078 -4.7629 1.7654 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0659 -4.4714 -0.3032 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9954 -3.0693 -0.2318 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4134 -3.1513 -1.4252 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7812 3.0988 3.9834 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5408 3.4692 3.8913 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9384 1.7900 4.3543 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3370 1.0059 0.4650 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9769 -0.0197 1.9375 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0434 1.3899 2.0430 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3011 3.4688 -0.0816 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8546 4.1370 0.8449 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5077 4.4138 1.4827 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3558 0.8184 -2.7423 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3252 0.5702 -4.2333 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6278 -0.8204 -3.1632 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5862 3.0345 -2.7985 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8038 2.7003 -3.1026 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3838 2.9871 -1.4536 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7095 -0.1686 -4.0107 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4997 -1.2848 -2.6210 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6041 0.3014 -2.7194 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8690 -1.2570 -0.9079 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9873 -1.1628 0.4639 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5260 1.3166 0.7057 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4882 1.2110 -0.7186 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7032 1.9905 -1.3743 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2224 0.4870 -2.1767 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5694 2.1763 -3.8506 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9081 2.8251 -3.7010 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0912 3.1618 -2.3605 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5555 0.1415 -4.6309 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1489 0.1464 -3.5594 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4169 -1.1945 -3.4761 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.1662 -0.5823 -2.7734 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.6279 -0.8265 -1.0555 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5227 0.6643 -1.5480 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8144 -3.3937 0.7645 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7937 -3.9859 -0.9931 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8858 -4.7283 0.2037 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5201 -1.4945 0.9629 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0405 -2.0393 1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2568 -3.1948 1.3710 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9936 -3.1655 -1.5697 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0650 -4.6767 -1.1721 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6445 -3.6814 -2.6145 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1353 -0.2645 3.2793 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4954 1.4580 3.5696 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9254 0.6528 1.9696 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8911 2.1341 4.2669 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5349 2.1577 3.0855 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0217 0.5714 3.8412 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9743 3.0182 0.3731 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7977 2.9088 0.6497 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7219 3.6339 1.8481 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