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
2.5107 0.1612 3.6264 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5549 0.7063 2.9532 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2335 0.1749 3.1251 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8436 0.5809 2.5509 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0210 1.6423 1.6100 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1032 2.3588 1.1859 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3251 1.9380 1.0941 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4622 2.9853 0.1734 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8256 3.2710 -0.3141 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5404 2.1665 -1.0311 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9205 0.6671 -0.0440 Si 0 0 0 0 0 4 0 0 0 0 0 0
-6.5531 0.1586 -0.1380 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.6819 1.3656 -0.4537 Si 0 0 0 0 0 4 0 0 0 0 0 0
-7.3541 2.9883 0.3467 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9504 1.5112 -2.3088 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.3417 0.7273 0.2227 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6031 0.9757 1.6095 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0537 -0.3655 2.5553 Si 0 0 0 0 0 4 0 0 0 0 0 0
-4.3912 -0.1488 4.3095 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3657 -1.9730 1.9177 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9158 -0.5161 2.6828 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8570 -0.5829 -0.5540 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4419 -1.4436 -1.9130 Si 0 0 0 0 0 4 0 0 0 0 0 0
-4.6724 -0.3557 -3.4112 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9767 -2.3931 -1.5112 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0950 -2.6886 -2.3601 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9490 1.7428 2.1508 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2328 2.2296 2.0141 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2454 1.2500 1.5095 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8674 0.7083 0.1325 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2689 -0.4934 -0.3062 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.7025 0.3830 -0.0722 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4573 0.9331 -1.4615 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.2727 2.0555 -2.3826 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9339 1.9747 -0.9702 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0309 -0.3729 -2.6309 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1639 -1.7267 0.8451 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5776 -2.1658 1.6246 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.2700 -0.7322 2.6046 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8815 -2.8988 0.5193 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1292 -3.4891 2.8961 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0203 -0.9881 -1.8954 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4273 -1.3812 -2.3073 Si 0 0 0 0 0 4 0 0 0 0 0 0
3.5375 -2.5071 -3.8266 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4748 0.1435 -2.8616 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5137 -2.3194 -1.0067 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1664 -0.6807 3.8401 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7661 -0.0149 2.8592 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9372 3.9164 0.5484 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8465 2.6803 -0.7246 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8116 4.2116 -0.9225 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4697 3.4982 0.5962 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4194 2.6238 -1.5147 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8532 1.9125 -1.9092 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3056 3.3379 0.8453 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6566 2.8177 1.1913 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0740 3.8107 -0.3178 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4003 2.3687 -2.7404 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0388 1.6261 -2.5166 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6218 0.5597 -2.7633 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2768 0.5298 1.2982 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5488 -0.2347 -0.3032 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1447 1.4220 -0.0763 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1161 0.9101 4.4273 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4862 -0.7973 4.4641 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2026 -0.3661 5.0070 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4273 -1.7793 1.3724 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1362 -2.6557 2.7789 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0982 -2.5269 1.2979 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3798 0.4850 2.7259 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2112 -1.1306 3.5585 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2808 -1.0222 1.7747 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2690 0.5360 -3.2269 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2235 -0.9959 -4.1556 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6839 -0.0669 -3.7801 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7116 -2.3906 -2.3718 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4799 -2.0877 -0.5741 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7796 -3.4986 -1.3667 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3545 -2.1107 -2.9832 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5357 -3.0137 -1.4706 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4811 -3.4910 -2.9892 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6394 2.6986 2.9439 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1947 3.0875 1.2852 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2466 1.7363 1.4777 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3477 0.4321 2.2519 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8203 1.5493 -0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9244 0.1471 0.2794 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6474 2.6275 -1.6701 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6168 1.4593 -3.0676 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8497 2.7376 -3.0704 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6481 1.9443 -1.8118 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5743 3.0188 -0.8092 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3738 1.5473 -0.0438 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1180 -0.9082 -3.0287 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7924 -1.0485 -2.2480 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4474 0.1337 -3.5275 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4426 -0.2346 3.1450 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8142 -0.0279 1.9323 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9476 -1.1108 3.4119 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8720 -2.6794 1.0177 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9368 -2.4444 -0.4744 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7844 -3.9830 0.5259 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9500 -3.4913 3.6489 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1798 -3.2525 3.3916 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1386 -4.4889 2.4240 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5194 -2.7983 -4.1381 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9701 -1.8973 -4.6235 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1569 -3.3911 -3.5710 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8776 -0.0715 -3.7592 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2414 0.9231 -3.1311 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8969 0.5844 -2.0274 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1145 -3.2833 -1.3759 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6503 -1.6966 -0.6353 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1675 -2.4596 -0.1306 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