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
1.2645 1.0489 0.3810 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7454 0.4341 1.3526 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0527 -0.5939 2.0492 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1318 -1.0396 1.8082 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1032 -0.6734 0.8128 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9855 0.1990 -0.0615 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3338 -1.3659 0.8074 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3670 -1.0758 -0.1267 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8814 0.3143 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9648 0.7314 -0.8883 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5514 -0.2093 -0.7693 Si 0 0 0 0 0 4 0 0 0 0 0 0
-7.7786 0.7169 -0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.6514 2.3492 -0.4112 Si 0 0 0 0 0 4 0 0 0 0 0 0
-9.3539 3.1188 -0.0959 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4566 3.2012 0.7452 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1539 2.6808 -2.1533 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1240 -0.5104 -2.3664 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.5710 -1.3878 -2.4069 Si 0 0 0 0 0 4 0 0 0 0 0 0
-8.3240 -3.2034 -2.0429 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.8989 -0.6520 -1.3094 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.2324 -1.2869 -4.1727 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3106 -1.6984 -0.0290 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.0611 -1.9313 1.4589 Si 0 0 0 0 0 4 0 0 0 0 0 0
-7.6919 -0.3941 2.2622 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7824 -2.6867 2.6264 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4639 -3.1814 1.3599 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0476 0.8443 1.7098 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7713 1.8472 1.0477 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0573 1.5216 -0.3747 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8498 0.2719 -0.6107 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5222 0.1890 0.1110 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.7308 1.3338 1.3561 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1526 1.1861 2.2430 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.6790 0.6715 3.9976 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0671 2.8116 2.4122 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3429 -0.0695 1.6071 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6920 -1.3648 0.8571 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0313 -2.5921 -0.2782 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.0515 -2.4382 -1.8465 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6279 -4.2417 0.4973 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8521 -2.5622 -0.6621 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7800 0.2641 -1.0482 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8361 1.6713 -1.9598 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.5363 3.2146 -0.9740 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5223 1.7324 -2.8022 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5359 1.5474 -3.3213 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6200 -1.0532 2.8986 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4598 -1.8632 2.5054 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9621 -1.2326 -1.1747 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1110 -1.8812 -0.0064 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2666 0.4604 1.0995 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0642 1.0736 -0.0322 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5564 0.5671 -1.9320 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1488 1.8356 -0.8582 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2855 4.2059 -0.0024 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0850 2.7672 -0.8249 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6634 2.7117 0.9024 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7546 3.8761 0.2265 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8529 2.4664 1.3314 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0022 3.7952 1.5379 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3476 3.4409 -2.1642 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9761 3.1266 -2.7604 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7380 1.7702 -2.6365 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3670 -3.3692 -1.5255 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1963 -3.5565 -1.4545 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3118 -3.8165 -2.9701 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0177 0.4024 -1.6284 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8512 -1.1683 -1.5508 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6441 -0.6705 -0.2509 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3141 -1.5400 -4.1651 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0351 -0.2636 -4.5762 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7284 -2.0353 -4.8178 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7845 -0.6188 3.3665 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9944 0.4542 2.2037 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7320 -0.1363 1.9530 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1592 -3.4243 2.0938 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1220 -1.8528 2.9342 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2680 -3.1044 3.5310 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3713 -2.6500 1.0783 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6002 -3.5822 2.4008 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1981 -4.0385 0.7299 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6222 2.2243 1.6374 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0663 2.7420 1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5328 2.4153 -0.8852 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0994 1.4086 -0.9147 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2356 -0.5823 -0.2523 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9133 0.1361 -1.7169 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6245 0.9253 4.1985 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3561 1.1159 4.7428 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7769 -0.4171 4.0792 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9926 2.8043 1.7955 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3841 3.0135 3.4487 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4613 3.6649 2.0549 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3417 0.1497 2.0892 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0750 -1.0807 1.9762 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5270 -0.0054 0.5285 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9813 -2.3199 -1.7064 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4332 -1.5757 -2.4272 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1753 -3.3916 -2.4390 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4115 -4.9882 0.2213 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6780 -4.1423 1.6064 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6305 -4.5686 0.1447 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1022 -3.4289 -1.3201 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4727 -2.6881 0.2464 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1587 -1.6292 -1.1868 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1988 3.9981 -1.7063 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7554 3.0247 -0.2389 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4812 3.5585 -0.4907 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6791 0.7182 -3.2360 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2639 1.9528 -2.0013 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4891 2.4840 -3.5949 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3432 0.5040 -3.6080 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6127 2.0392 -2.9942 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8987 2.0999 -4.2128 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