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
-3.1815 1.1428 -3.5725 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0993 0.7766 -2.9544 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0665 1.7641 -2.7472 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0854 1.6100 -2.1582 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6504 0.4266 -1.5535 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0879 -0.6878 -1.5027 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9486 0.5599 -0.9765 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4884 -0.6109 -0.3885 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8414 -0.3955 0.1932 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8732 0.0627 -0.8161 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4901 0.2677 0.0968 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.5188 1.2340 -0.8741 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4149 2.8893 -0.5618 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.0195 3.3895 0.5364 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1954 3.7679 -2.2067 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0678 3.4508 0.1363 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2441 1.1104 1.5765 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1076 0.3716 2.8606 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.3678 -1.3145 3.1530 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9300 0.2583 2.4899 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8753 1.3941 4.3864 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2724 -1.2214 0.3486 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1838 -2.3142 -0.9276 Si 0 0 0 0 0 4 0 0 0 0 0 0
5.7064 -3.4457 -0.8256 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6957 -3.4404 -0.7779 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2565 -1.5233 -2.6100 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0906 -0.5277 -2.5769 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1117 -1.4429 -2.7947 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4172 -1.0907 -2.1337 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2580 -0.9990 -0.6331 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8243 -0.5784 0.2472 Si 0 0 0 0 0 4 0 0 0 0 0 0
-7.0552 -0.0973 -0.8334 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.0292 -1.3662 -1.3892 Si 0 0 0 0 0 4 0 0 0 0 0 0
-7.9612 -1.3214 -3.2736 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4306 -3.0483 -0.8731 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.8096 -1.1186 -0.8584 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4187 -1.9310 1.1446 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.0237 -1.4706 2.6609 Si 0 0 0 0 0 4 0 0 0 0 0 0
-7.4385 -3.0589 3.5903 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7396 -0.5716 3.6444 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.5963 -0.4778 2.5521 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4782 0.6760 1.3869 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7817 2.2265 0.7721 Si 0 0 0 0 0 4 0 0 0 0 0 0
-4.8044 3.4813 1.7535 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3516 2.3507 -1.0417 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5968 2.6102 0.9612 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2909 2.7866 -3.1453 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7217 2.5437 -2.1232 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4661 -1.4678 -1.0857 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8080 -0.8724 0.4539 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7684 0.3014 1.0506 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1987 -1.3898 0.5763 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0012 -0.6748 -1.6295 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5502 1.0048 -1.2921 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3754 3.4419 1.5920 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6819 4.4451 0.3142 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1248 2.7734 0.3888 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0769 3.0557 -3.0431 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0340 4.4479 -2.4360 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2760 4.4015 -2.2172 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7536 3.5475 -0.7551 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9116 4.4239 0.6310 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4130 2.6800 0.8461 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5838 -1.2984 3.9376 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1421 -2.0295 3.5225 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8963 -1.7221 2.2351 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0152 0.0301 1.3942 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3977 -0.6037 3.0098 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4909 1.1570 2.7729 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3185 2.4020 4.2390 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8021 1.4186 4.6461 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4657 0.9067 5.2093 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5696 -3.8340 0.1983 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9494 -4.3278 -1.4879 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7839 -3.0218 -1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6076 -2.8635 -1.1114 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6236 -4.3134 -1.4296 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8682 -3.7364 0.2772 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4393 -1.8790 -3.2733 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2133 -0.3999 -2.4992 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2538 -1.7140 -3.0443 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2399 -1.5249 -3.9116 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8316 -2.4688 -2.4752 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1461 -1.8700 -2.4415 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8048 -0.1360 -2.5355 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9152 -1.9881 -0.2656 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4666 -0.2737 -0.4008 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7482 -0.6043 -3.5956 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0008 -0.8798 -3.5953 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1059 -2.3099 -3.7070 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3361 -3.1377 -0.8216 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7828 -3.8413 -1.5953 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9230 -3.3620 0.0933 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4313 -1.7362 -1.5501 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0622 -0.0552 -0.9385 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9568 -1.5084 0.1575 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0188 -2.7926 4.5078 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0982 -3.6717 2.9539 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5358 -3.6213 3.8355 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6676 -0.9700 4.6821 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9072 0.5143 3.7200 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7641 -0.7293 3.1607 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4848 -1.1683 2.6264 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6921 0.2255 3.3861 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6684 -0.0123 1.5655 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6478 3.1289 2.7916 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3427 4.4402 1.7929 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8162 3.6329 1.2746 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3115 3.4261 -1.3092 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3368 1.9476 -1.2294 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1319 1.8857 -1.6763 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1813 2.0571 0.2201 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9305 2.3010 1.9918 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7614 3.7163 0.8615 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