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
1.9330 0.8090 -1.2690 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7704 -0.2887 -1.8274 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5330 -1.1123 -1.6587 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4227 -0.8522 -0.9325 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3562 -0.3328 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9546 0.8615 0.5561 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4737 -0.5588 0.4476 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6863 -0.7505 1.0163 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3825 -1.9799 0.4527 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8309 -1.9423 0.8886 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6100 -0.3920 0.1209 Si 0 0 0 0 0 4 0 0 0 0 0 0
-5.6758 -0.1053 -1.3464 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7100 1.5279 -1.8017 Si 0 0 0 0 0 4 0 0 0 0 0 0
-5.4255 1.6487 -3.6398 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3661 2.5373 -0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4084 2.2309 -1.4677 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1809 -0.6227 -0.3885 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.9739 -2.0399 0.0043 Si 0 0 0 0 0 4 0 0 0 0 0 0
-10.8128 -1.7639 -0.3848 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.8647 -2.5529 1.7711 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4126 -3.3869 -1.1721 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3225 0.8966 1.1376 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.4372 1.3447 2.2885 Si 0 0 0 0 0 4 0 0 0 0 0 0
-9.2121 1.1173 1.8313 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0407 0.4759 3.9157 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1874 3.1987 2.5759 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7520 -0.7482 -2.6141 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9656 -0.4283 -3.0976 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0395 0.0525 -2.1861 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3071 -0.7792 -0.9860 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7684 -0.1180 -0.0335 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.3550 1.2421 -0.8403 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7529 1.1024 -1.7397 Si 0 0 0 0 0 4 0 0 0 0 0 0
8.6688 2.4721 -3.0702 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2539 1.5337 -0.7138 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9583 -0.4850 -2.6759 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9673 -1.3212 0.0389 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5952 -2.5888 1.1052 Si 0 0 0 0 0 4 0 0 0 0 0 0
8.9859 -3.8513 0.9831 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0305 -3.4907 0.6127 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4337 -2.0612 2.8561 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2468 0.3458 1.5368 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9919 2.0268 1.7062 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.5889 2.9555 1.6055 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2265 2.3383 3.3855 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8312 2.6928 0.3906 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5760 -2.0356 -2.2848 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1909 -1.9093 -1.3442 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3383 0.1228 0.6512 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6992 -0.7256 2.1012 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2044 -2.1131 -0.6141 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8963 -2.8663 0.9586 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2831 -2.8639 0.4728 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8789 -1.8966 1.9792 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6998 0.8879 -3.9796 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3654 1.4765 -4.2130 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9930 2.6387 -3.9267 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4236 1.9538 -0.9255 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7327 2.9070 -0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1140 3.4203 -1.5932 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3987 3.0542 -0.7242 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8772 2.6604 -2.3958 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1150 1.4300 -1.1763 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.2127 -2.5193 -1.0558 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9308 -0.7874 -0.9188 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.4244 -1.7268 0.5271 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8858 -2.6043 2.2471 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4618 -3.5843 1.8024 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2684 -1.8460 2.3898 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2421 -3.7665 -1.8107 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6253 -3.0141 -1.8563 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0916 -4.2852 -0.6052 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8560 1.9179 2.3263 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4347 1.1644 0.7644 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6250 0.1771 2.2848 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3158 -0.3339 3.7480 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0198 0.1159 4.3625 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5956 1.1621 4.6661 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1733 3.5074 2.2209 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2768 3.3785 3.6442 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9881 3.7858 2.0492 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8302 0.4380 -3.8403 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2946 -1.2565 -3.8014 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9714 1.1249 -2.0493 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0073 -0.0498 -2.8625 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4418 -1.8603 -1.2852 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3961 -0.7258 -0.2904 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7995 2.3101 -3.7222 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6786 3.4526 -2.5564 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5967 2.3833 -3.6409 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2818 1.0246 0.2637 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1857 1.3907 -1.2595 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1781 2.6315 -0.4773 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8108 -1.3846 -2.0470 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9799 -0.5162 -3.1503 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2710 -0.5879 -3.5284 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9195 -3.2394 0.7983 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8205 -4.5375 0.1273 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0822 -4.3483 1.9466 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1466 -2.8947 0.7956 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1639 -3.8859 -0.3992 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9693 -4.3758 1.3268 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1071 -1.2265 3.1369 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3867 -1.8715 3.1796 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8172 -2.9087 3.5065 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8471 3.3010 2.6533 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4992 3.8275 0.8908 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4035 2.2737 1.3197 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9713 2.7835 4.0828 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8923 1.3818 3.8536 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3552 3.0000 3.3162 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9481 2.0247 0.2327 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3685 2.9226 -0.5598 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4324 3.6591 0.7708 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