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
-2.0415 -1.0193 -0.2353 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6457 0.0002 -0.8278 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2940 0.5089 -0.5582 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4883 -0.1098 0.2939 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8469 0.3852 0.5773 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5638 -0.2409 1.3976 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2955 1.5123 -0.0574 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5672 2.0339 0.1607 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6946 1.0740 -0.2109 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9891 1.8412 0.0988 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4967 0.8277 -0.3087 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.9967 -0.7880 -0.5526 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6903 -1.9044 0.5100 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.6528 -2.1125 2.0723 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4570 -1.5567 0.9439 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6605 -3.5843 -0.3558 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0395 1.4106 -1.8570 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2784 0.1682 -2.9768 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.8651 -1.0160 -3.1201 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8940 -0.7111 -2.6509 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4690 0.9985 -4.6637 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7768 0.9932 0.7483 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6064 2.0285 2.0592 Si 0 0 0 0 0 4 0 0 0 0 0 0
10.2806 2.0572 2.9409 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2678 3.7574 1.4497 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3401 1.5381 3.2907 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4669 0.6357 -1.7209 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7566 0.2089 -2.0200 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6850 0.2071 -0.8260 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0582 -0.2780 -1.2492 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2375 -0.2868 0.1894 Si 0 0 0 0 0 4 0 0 0 0 0 0
-8.8306 -0.2495 -0.4239 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.0371 -0.5102 0.7261 Si 0 0 0 0 0 4 0 0 0 0 0 0
-9.4165 -0.5227 2.4705 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.4192 0.7569 0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.8322 -2.1804 0.3854 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9309 0.9859 1.2810 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.3773 2.5184 0.7550 Si 0 0 0 0 0 4 0 0 0 0 0 0
-8.3879 2.5354 -0.8058 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9258 3.6681 0.5345 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4375 3.2836 2.1209 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0148 -1.7437 1.0538 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9478 -3.1374 0.1077 Si 0 0 0 0 0 4 0 0 0 0 0 0
-7.7655 -2.9859 -1.5387 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1407 -3.5896 -0.1669 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7215 -4.5461 1.0835 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0857 1.3958 -1.0494 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1200 -0.9950 0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6838 2.3911 1.2035 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6458 2.9684 -0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6482 0.7666 -1.2516 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6689 0.2567 0.5384 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9141 2.7766 -0.5233 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9830 2.2047 1.1415 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6193 -1.7559 1.9042 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1499 -1.6437 2.9423 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5632 -3.1980 2.3470 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0610 -2.5091 1.0245 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9951 -0.9260 0.2356 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4821 -1.1512 1.9983 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6833 -3.7473 -0.8448 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9605 -4.3755 0.3382 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4248 -3.5040 -1.1726 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9421 -0.6974 -2.6355 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5894 -1.2206 -4.1959 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2318 -2.0141 -2.7522 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7083 -1.6356 -2.0949 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6070 -0.0311 -2.1455 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3928 -1.0088 -3.6169 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1122 1.8865 -4.5658 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8601 0.2358 -5.3678 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4455 1.2684 -5.0390 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4163 2.9895 3.5102 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0983 1.8607 2.2133 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3140 1.2164 3.6652 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2201 3.7715 0.3411 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2719 4.0938 1.8426 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0106 4.4524 1.8489 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8236 1.0809 4.1765 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7039 0.7095 2.8639 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7071 2.3682 3.6636 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6825 -0.8471 -2.4099 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2001 0.7968 -2.8471 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7212 1.1988 -0.3669 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3120 -0.5302 -0.0886 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9017 -1.3471 -1.5502 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4302 0.2268 -2.1412 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8998 0.3296 3.0146 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3198 -0.4880 2.5376 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7514 -1.4433 3.0230 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5570 1.0263 -0.5371 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.3544 0.2898 0.8804 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.1947 1.6078 1.1853 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.8093 -2.2402 0.9506 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0594 -2.2123 -0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1899 -3.0194 0.6477 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4780 2.6194 -0.5487 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1793 1.7143 -1.4905 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1722 3.4918 -1.3443 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0917 3.4651 1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6475 3.6188 -0.5593 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3025 4.7103 0.6722 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9444 2.5085 2.7042 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8204 3.8905 2.8080 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2159 3.9479 1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0799 -3.2548 -2.3799 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6082 -3.7381 -1.6278 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1785 -1.9914 -1.7736 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9017 -3.4893 -1.2396 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9253 -4.6250 0.2002 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4891 -2.8701 0.3674 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3309 -5.1380 0.3969 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2997 -4.1492 1.9643 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9410 -5.2012 1.5183 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