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
-2.7971 -0.5178 -0.1679 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0335 0.4238 -0.4534 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5631 0.1960 -0.3957 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2587 1.1773 -0.6897 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7188 0.9820 -0.6418 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1320 -0.1514 -0.3146 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6027 1.9833 -0.9386 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9914 1.7632 -0.8916 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4883 0.7499 -1.8635 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9700 0.5169 -1.8163 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5998 -0.1507 -0.2332 Si 0 0 0 0 0 4 0 0 0 0 0 0
5.6211 0.0849 1.1213 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2466 -1.3735 1.9429 Si 0 0 0 0 0 4 0 0 0 0 0 0
4.8379 -2.7620 0.7963 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7141 -1.8544 2.9861 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7540 -1.0076 3.0388 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8366 -1.8529 -0.4277 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4269 -2.1343 -0.9532 Si 0 0 0 0 0 4 0 0 0 0 0 0
8.7871 -1.0131 -2.4021 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6715 -3.9113 -1.4769 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5902 -1.6840 0.4381 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1429 0.5308 0.0782 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0981 2.0986 0.6992 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.8182 2.3953 1.9897 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7766 2.5375 1.4194 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7984 3.3072 -0.7152 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5352 1.6028 -0.8012 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7312 2.2035 -0.9836 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6348 1.7792 -2.0805 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1962 0.4248 -1.9774 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3042 0.1384 -0.5007 Si 0 0 0 0 0 4 0 0 0 0 0 0
-5.6613 -1.0772 0.5566 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9563 -2.6297 -0.0860 Si 0 0 0 0 0 4 0 0 0 0 0 0
-5.4577 -3.8909 1.2239 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9275 -2.9875 -1.6035 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7277 -2.9445 -0.4988 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7780 -0.5451 -1.0928 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.9928 0.5815 -1.3888 Si 0 0 0 0 0 4 0 0 0 0 0 0
-8.2894 2.1291 -2.1120 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.1573 -0.1791 -2.6720 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.0154 0.9247 0.1325 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6964 1.5496 0.3374 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.7869 1.3769 2.0342 Si 0 0 0 0 0 4 0 0 0 0 0 0
-8.1465 2.5110 2.6456 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1468 -0.3397 2.5977 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2031 1.9608 2.8576 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2145 -0.7674 -0.1146 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0820 2.1626 -0.9772 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3412 1.6252 0.1355 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4495 2.7650 -1.1971 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9248 -0.2071 -1.6924 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1703 1.0394 -2.9108 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2004 -0.2215 -2.6362 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5105 1.4380 -2.1548 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9794 -3.3350 1.2438 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6695 -3.5101 0.7318 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5680 -2.3810 -0.2179 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3298 -0.9391 3.1843 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3626 -2.2852 3.9518 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3034 -2.5983 2.4099 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2616 -1.9555 3.3361 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1065 -0.4163 3.8976 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0890 -0.3593 2.4344 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8670 -1.1472 -2.6400 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1988 -1.3773 -3.2872 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5347 0.0282 -2.1633 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9809 -4.5621 -0.9259 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5139 -3.9824 -2.5827 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7287 -4.1932 -1.3063 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0574 -1.3535 1.3416 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2417 -2.5617 0.6778 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2774 -0.8607 0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2031 3.2069 2.6769 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6181 1.5425 2.6458 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9058 2.8148 1.4965 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4541 2.8744 0.6129 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1961 1.6466 1.9462 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6394 3.3762 2.1321 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7206 3.4242 -0.8242 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3242 2.9025 -1.5909 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2311 4.2862 -0.3798 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6255 3.3511 -0.9852 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3362 2.1022 0.0105 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0586 1.9301 -3.0471 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4502 2.5740 -2.1269 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5085 -0.4256 -2.0801 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8370 0.3067 -2.9422 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1439 -3.7378 2.0975 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6781 -4.9205 0.8579 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4030 -3.8049 1.4813 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9057 -4.0970 -1.7054 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3929 -2.6072 -2.5198 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8888 -2.6663 -1.5134 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9582 -4.0369 -0.3231 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4469 -2.4052 0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9547 -2.8145 -1.5964 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6087 1.9127 -2.9560 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8260 2.7346 -1.3161 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1205 2.7377 -2.5806 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5945 -0.5123 -3.5682 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8156 0.6490 -3.0048 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7859 -0.9495 -2.2260 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.1068 0.7101 -0.0374 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7262 0.3024 1.0005 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9065 1.9810 0.4117 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8732 2.9848 3.6192 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3053 3.3530 1.9344 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1178 1.9840 2.7106 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6820 -0.2568 3.5891 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8485 -0.8433 1.9282 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2356 -0.9324 2.8176 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4220 1.1825 2.8448 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3974 2.3236 3.9000 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8457 2.8492 2.2967 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