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
-0.4131 1.3508 -0.5057 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0210 1.4569 -1.5738 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4142 1.8371 -2.8052 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8023 2.1307 -3.0558 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9401 2.1675 -2.1642 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0998 2.4969 -2.6372 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9281 1.8820 -0.8237 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0141 1.9080 0.0597 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0752 0.9222 -0.3584 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1929 1.0421 0.6751 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5990 -0.1084 0.3194 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.0647 -1.3060 -0.7795 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6227 -2.8705 -0.3093 Si 0 0 0 0 0 4 0 0 0 0 0 0
8.4994 -2.8373 -0.2521 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9158 -3.3669 1.3314 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1019 -4.0683 -1.6427 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9878 0.7145 -0.2356 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8771 1.2337 -1.8396 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.0466 -0.0028 -2.9590 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0097 2.8607 -2.0355 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6385 1.4491 -2.4841 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0255 -0.9082 1.7797 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1290 0.0476 2.6781 Si 0 0 0 0 0 4 0 0 0 0 0 0
9.6598 0.3866 1.6845 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5664 -0.8663 4.2424 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3243 1.6801 3.0788 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4117 1.1677 -1.5032 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9751 0.7963 -0.2758 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4487 0.5526 -0.4852 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1431 0.1414 0.8041 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9530 -0.1307 0.4237 Si 0 0 0 0 0 4 0 0 0 0 0 0
-7.3405 0.6363 -1.0538 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.1968 -0.3730 -2.1222 Si 0 0 0 0 0 4 0 0 0 0 0 0
-8.6801 0.6602 -3.6112 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0772 -1.7286 -2.7096 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.7627 -1.0367 -1.3687 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3876 -1.7648 0.4360 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.5774 -2.7022 1.5849 Si 0 0 0 0 0 4 0 0 0 0 0 0
-4.9361 -3.3389 0.9604 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3814 -1.8365 3.2279 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6465 -4.2273 1.9095 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.8384 0.6549 1.6868 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.3380 2.2131 1.2588 Si 0 0 0 0 0 4 0 0 0 0 0 0
-8.7334 3.1200 2.8707 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0160 3.2070 0.4133 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.9237 2.2037 0.2644 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1156 1.8833 -3.6803 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0897 2.4133 -4.1238 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4328 2.9318 0.1532 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6109 1.6333 1.0686 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4301 1.1088 -1.3690 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6174 -0.0967 -0.2428 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5183 2.1028 0.7387 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7341 0.7981 1.6457 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9203 -3.7783 -0.6475 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7832 -2.7882 0.8182 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8843 -1.9305 -0.7618 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1239 -2.6563 1.6688 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4760 -4.3720 1.2719 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7251 -3.4071 2.0985 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9458 -4.2836 -2.3527 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8501 -5.0534 -1.1652 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2038 -3.7169 -2.1960 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1618 0.3814 -3.9991 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5825 -0.9905 -2.9549 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9690 -0.0990 -2.7790 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4673 3.3979 -2.8913 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9292 2.7573 -2.2584 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2031 3.4644 -1.1274 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0910 2.3609 -2.0495 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6510 1.4452 -3.5837 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2408 0.5845 -2.1163 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5362 0.3498 2.3871 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6721 1.4170 1.2498 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7997 -0.3023 0.8398 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2625 -0.2437 4.8414 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1291 -1.7833 3.9368 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6614 -1.0992 4.8143 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2580 1.5252 3.3552 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3793 2.3950 2.2412 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8689 2.1401 3.9357 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8714 1.6881 0.4071 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5168 -0.0790 0.1839 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5574 -0.2617 -1.2267 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9599 1.4462 -0.8972 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9852 0.9703 1.5265 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6769 -0.7517 1.2521 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6552 0.3132 -3.9871 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8794 0.6455 -4.3775 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7861 1.7171 -3.2833 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3179 -2.0538 -3.7637 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1464 -2.6369 -2.0892 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0168 -1.4052 -2.7487 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8527 -0.7764 -0.2917 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8266 -2.1536 -1.5218 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.6722 -0.6302 -1.8652 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1720 -3.0738 1.7201 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9082 -4.4324 0.8476 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6317 -2.8124 0.0203 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7776 -2.4344 4.0768 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3263 -1.5520 3.4182 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0007 -0.9102 3.2044 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5776 -3.9495 2.4415 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9736 -4.6677 0.9231 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1100 -4.9714 2.4976 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4080 2.5125 3.5018 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7433 3.2166 3.3917 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0941 4.1218 2.6397 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9403 3.0044 -0.6635 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0600 3.0223 0.9012 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3270 4.2866 0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7568 2.2226 -0.8116 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5472 3.1115 0.5032 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5234 1.3386 0.6237 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