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
1.9711 0.8870 -4.3905 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6286 0.1837 -3.3986 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2427 0.2372 -2.8866 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0523 -0.5276 -1.8626 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4118 -0.5340 -1.2927 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2656 0.2186 -1.8090 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7486 -1.3299 -0.2362 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0215 -1.3703 0.3216 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0789 -1.8309 -0.6447 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4553 -1.8880 -0.0551 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1792 -0.2981 0.5112 Si 0 0 0 0 0 4 0 0 0 0 0 0
-6.8184 -0.3593 2.0805 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.8185 -1.8622 2.8319 Si 0 0 0 0 0 4 0 0 0 0 0 0
-5.0873 -2.3307 3.3718 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.5334 -3.2406 1.8569 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8276 -1.6744 4.4221 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4341 0.1798 -0.5751 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.9333 0.4191 0.1909 Si 0 0 0 0 0 4 0 0 0 0 0 0
-9.9292 -1.1744 0.2525 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.9189 1.5905 -0.9203 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.8118 1.2310 1.8486 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9760 0.9219 0.5013 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2696 2.1750 -0.5942 Si 0 0 0 0 0 4 0 0 0 0 0 0
-6.4087 3.4390 0.1758 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6259 3.0376 -0.9196 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9113 1.5528 -2.2317 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5782 -0.6261 -2.8167 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9101 -0.7207 -3.2705 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6600 0.5591 -3.2521 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8231 1.2613 -1.9546 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8203 0.3921 -0.6411 Si 0 0 0 0 0 4 0 0 0 0 0 0
5.3450 -1.2067 -0.5153 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5051 -2.4082 -0.5534 Si 0 0 0 0 0 4 0 0 0 0 0 0
8.1464 -2.0269 0.1759 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8103 -3.8823 0.4121 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8094 -3.0646 -2.2888 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3496 1.2171 0.8137 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9778 0.6833 2.2411 Si 0 0 0 0 0 4 0 0 0 0 0 0
5.3841 -1.0396 2.6562 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8083 0.7518 2.4527 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2616 1.8023 3.6086 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4755 0.6243 -0.8079 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0876 2.0847 -1.2519 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.4761 3.4102 -0.0501 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8271 2.6948 -2.9487 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9660 2.0309 -0.9691 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4408 0.8901 -3.3755 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6758 -1.1674 -1.4108 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3137 -0.4775 0.8657 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9738 -2.2149 1.0939 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7645 -2.8553 -0.9686 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0341 -1.1729 -1.5432 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4125 -2.6599 0.7573 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1261 -2.3844 -0.8253 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9801 -2.2921 4.4702 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8165 -3.3370 2.9727 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3878 -1.6150 2.9125 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7691 -3.0117 0.8002 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8844 -4.1651 1.9071 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4931 -3.5583 2.3109 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5773 -0.7170 4.9285 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5758 -2.4865 5.1344 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9069 -1.6296 4.1890 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4905 -1.9274 -0.4611 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9727 -1.0293 -0.0947 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9992 -1.5753 1.2872 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0041 1.3708 -0.8137 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6641 2.6294 -0.7188 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6388 1.3358 -1.9587 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0940 0.5062 2.6465 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5710 2.0602 1.9639 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8415 1.7308 2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2402 3.4016 1.2810 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0719 4.4755 -0.1191 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4495 3.3352 -0.1232 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7994 2.5829 -0.3329 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6671 4.1035 -0.6170 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3793 3.0401 -2.0110 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4284 2.1133 -3.0662 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0007 1.7003 -2.3491 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6034 0.4802 -2.3881 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9026 -1.0339 -4.3799 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4042 -1.5103 -2.6889 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1834 1.2923 -3.9743 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6904 0.4353 -3.7034 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1507 2.3248 -2.0739 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7474 1.4089 -1.5850 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7366 -1.2533 -0.3545 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1203 -1.8993 1.2693 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7727 -2.9650 0.0354 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7178 -3.9024 0.1934 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2339 -4.8210 -0.0082 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0340 -3.7764 1.4843 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7220 -3.6967 -2.3048 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8399 -2.2419 -3.0382 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9714 -3.7275 -2.6115 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9005 -1.0759 3.6581 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2348 -1.7335 2.7012 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6187 -1.3914 1.9336 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0795 -0.0066 3.2466 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3906 0.4564 1.5638 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1610 1.7244 2.8780 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2676 2.8277 3.2086 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8273 1.6769 4.5428 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2377 1.4207 3.7941 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0868 3.3321 0.8826 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7181 4.4152 -0.4747 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4111 3.2858 0.1946 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0155 3.4835 -2.9537 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7266 3.2492 -3.3006 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5207 1.9452 -3.6974 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3788 3.0017 -1.3358 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1824 1.8239 0.0784 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3647 1.2619 -1.6805 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