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
-2.9762 3.8976 1.1347 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8764 3.2146 1.2014 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1927 3.2535 2.4670 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0788 2.6479 2.7579 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7470 1.8027 1.9234 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5297 1.5002 0.7500 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9271 1.2606 2.4975 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7568 0.4188 1.6715 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9279 -0.0445 2.4587 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8996 -0.9333 1.7759 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7992 -0.2646 0.3299 Si 0 0 0 0 0 4 0 0 0 0 0 0
4.9217 1.0015 -0.4021 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7477 2.4798 -0.4470 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.7211 2.8504 1.0826 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8443 2.6069 -1.9535 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4497 3.8395 -0.6141 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1092 -1.4299 -0.8902 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1889 -2.8407 -0.7470 Si 0 0 0 0 0 4 0 0 0 0 0 0
3.3521 -2.4918 -0.7447 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7044 -3.8633 0.7139 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5233 -3.8650 -2.2996 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3215 0.4193 0.8056 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6426 -0.4203 0.1549 Si 0 0 0 0 0 4 0 0 0 0 0 0
9.0892 -1.9282 1.1837 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4180 -0.8657 -1.6358 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1307 0.7386 0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5496 2.5692 0.0537 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2672 2.5756 -1.1482 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6607 2.0413 -1.0308 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6698 0.6069 -0.5488 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4497 -0.0057 -0.4245 Si 0 0 0 0 0 4 0 0 0 0 0 0
-6.1079 0.7478 0.9703 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2590 -0.4291 2.2082 Si 0 0 0 0 0 4 0 0 0 0 0 0
-6.5248 0.3591 3.8756 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8452 -1.6306 2.2323 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8152 -1.4233 1.8170 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5217 -1.6820 -0.2346 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.6365 -2.5861 -1.6505 Si 0 0 0 0 0 4 0 0 0 0 0 0
-6.8662 -1.9490 -2.8753 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0017 -2.8184 -2.5296 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1990 -4.3211 -1.1466 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2436 0.4559 -1.8460 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.5478 1.5043 -1.6218 Si 0 0 0 0 0 4 0 0 0 0 0 0
-8.2993 1.8524 -3.3107 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0751 3.1476 -0.8880 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.8996 0.7754 -0.5702 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6425 3.8591 3.3032 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2729 2.8209 3.8159 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1528 -0.4664 1.3420 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0548 0.9845 0.7798 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5154 -0.6409 3.3300 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4333 0.8471 2.9159 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3594 -1.8912 1.5568 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6505 -1.2497 2.5609 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4039 2.2418 1.9481 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8035 2.7003 0.8793 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6376 3.9397 1.3609 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8320 2.1372 -1.7719 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3422 2.1591 -2.8448 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9377 3.7038 -2.1860 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9800 4.8188 -0.5502 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9560 3.8051 -1.5852 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7578 3.7911 0.2437 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8840 -2.7216 -1.7166 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9057 -3.0941 0.0848 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2376 -1.4029 -0.5744 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2882 -3.2947 1.4678 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8259 -4.3654 1.1764 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3747 -4.6779 0.3784 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8349 -3.5757 -3.1171 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5542 -3.6562 -2.6373 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4691 -4.9355 -2.0435 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1948 -2.0859 1.0679 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5523 -2.8261 0.8395 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8382 -1.6843 2.2339 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3718 -0.7001 -2.2182 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6680 -0.2264 -2.1448 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2055 -1.9593 -1.7751 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1389 1.3076 1.1850 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0201 0.0697 0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1322 1.3969 -0.6552 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3658 3.6210 -1.5670 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6650 2.0353 -1.9189 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2597 2.7048 -0.4069 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1078 2.0507 -2.0459 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1561 0.5920 0.4152 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0932 -0.0080 -1.2673 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2742 -0.2211 4.4534 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5965 0.3616 4.4874 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9502 1.3865 3.7538 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4294 -1.7763 3.2508 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1427 -2.6574 1.8881 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0253 -1.3239 1.5566 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7885 -2.4127 2.3141 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8562 -1.6155 0.7207 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7074 -0.8314 2.0629 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8195 -1.6823 -2.3812 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1241 -2.7809 -3.5935 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4428 -1.1542 -3.5135 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5643 -1.8400 -2.7250 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2642 -3.2933 -3.5205 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3571 -3.5160 -1.9585 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4550 -4.9182 -2.0371 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4129 -4.7759 -0.5234 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1277 -4.1992 -0.5619 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5249 1.9852 -4.0864 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9127 2.7854 -3.1866 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0212 1.0509 -3.5260 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3650 3.6902 -1.5464 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6804 3.0146 0.1414 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0079 3.7395 -0.7887 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6818 0.9963 0.4733 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1156 -0.2646 -0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8364 1.3540 -0.8215 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