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
1.2958 -1.3155 1.2114 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8412 -1.9095 0.2728 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1863 -2.4949 -0.8461 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0787 -2.5448 -1.1348 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1355 -1.9810 -0.3257 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0253 -1.3726 0.7544 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4882 -2.1021 -0.7618 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5334 -1.5719 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4987 -0.0975 0.1946 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7006 0.3292 1.0366 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2295 -0.1314 0.1344 Si 0 0 0 0 0 4 0 0 0 0 0 0
-5.9376 -0.0323 -1.5524 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4193 1.4373 -2.2443 Si 0 0 0 0 0 4 0 0 0 0 0 0
-5.3857 2.8864 -1.6716 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1021 1.2810 -4.0999 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2407 1.7878 -2.0353 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6071 0.7275 0.5499 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.7853 1.1717 2.1522 Si 0 0 0 0 0 4 0 0 0 0 0 0
-7.4837 -0.3265 3.2269 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6653 2.5189 2.7270 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.5513 1.7213 2.4351 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5465 -1.8072 0.4725 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.8828 -2.3973 -0.3895 Si 0 0 0 0 0 4 0 0 0 0 0 0
-7.8593 -4.2763 -0.2028 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8386 -2.0170 -2.1954 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4832 -1.7187 0.3258 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2533 -2.0019 0.3424 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9613 -1.4414 1.4137 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8442 0.0366 1.5565 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2957 0.8565 0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1071 0.6160 0.0671 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.8247 2.2010 0.3692 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9379 2.6075 -0.8423 Si 0 0 0 0 0 4 0 0 0 0 0 0
9.1469 1.2245 -1.1956 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9191 4.0801 -0.2482 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0200 3.1031 -2.3925 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4536 0.2956 -1.5532 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3473 -1.2888 -2.0780 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.6317 -1.4884 -3.4629 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7050 -1.6883 -2.8794 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7214 -2.5844 -0.8224 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7410 -0.4944 1.1750 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5152 0.2052 2.5192 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.9961 1.9394 2.8755 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3802 0.0749 2.3434 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0461 -0.8444 4.0086 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8533 -2.9971 -1.6094 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3953 -3.0606 -2.0801 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6796 -2.0690 0.9666 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4780 -1.7882 -0.5903 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6147 0.3839 -0.8211 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5672 0.3161 0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5607 1.4023 1.2298 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6315 -0.2889 1.9565 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9446 3.8215 -1.9216 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1379 2.8335 -0.5929 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4227 2.9613 -2.2181 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7983 1.9889 -4.6300 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0481 1.5501 -4.2752 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3653 0.2656 -4.3946 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7729 1.0325 -1.4459 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7830 1.8292 -3.0231 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3281 2.8140 -1.5885 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4440 -0.8229 3.3931 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7944 -1.0214 2.6904 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0712 -0.0295 4.2207 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4702 3.2896 1.9293 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7466 2.1280 3.1818 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1932 3.0776 3.5383 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.2914 1.0120 2.0442 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7105 2.7591 2.0219 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6626 1.8439 3.5480 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9057 -4.5956 -0.0327 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3754 -4.7526 -1.0688 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.2694 -4.5817 0.6888 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3240 -2.8684 -2.7455 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8081 -1.9397 -2.6017 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4711 -1.1413 -2.4081 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3840 -1.8413 1.4409 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5604 -0.6650 0.0493 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3280 -2.3233 -0.0522 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4347 -1.8601 2.3485 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9905 -1.8046 1.4942 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7805 0.2798 1.8467 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4129 0.2990 2.4915 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0272 1.9168 0.6247 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7313 0.5090 -0.5165 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1627 1.0538 -2.2953 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1988 1.5141 -0.9359 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9270 0.3212 -0.6107 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5013 4.5296 -1.0705 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6584 3.7897 0.5353 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2693 4.8534 0.1845 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6358 3.8284 -2.9598 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7911 2.1970 -2.9970 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0569 3.5222 -2.0723 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5106 -0.6545 -4.1801 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6624 -1.3930 -3.0275 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5106 -2.4489 -3.9741 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8475 -1.4316 -2.2623 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6946 -1.1660 -3.8685 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6670 -2.7721 -3.1071 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8079 -3.0227 -0.3668 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -3.4624 -1.3607 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4937 -2.2869 -0.0845 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9763 2.1084 2.5369 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7209 2.6974 2.5157 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9800 2.0795 3.9903 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6829 -0.8271 1.7724 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8807 0.0050 3.3333 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7580 1.0199 1.8855 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4554 -0.3337 4.8883 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4222 -1.8756 3.8623 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9472 -0.8807 4.1306 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