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
-3.0892 -1.6714 2.3840 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9764 -1.2709 1.8801 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7565 -1.6799 2.5344 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4552 -1.4122 2.2406 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9816 -0.6238 1.1713 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2717 -0.0676 0.3220 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3870 -0.4311 1.0280 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8626 0.3610 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3676 0.4937 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1137 -0.7923 -0.1341 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9551 -0.3635 -0.0670 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.2933 0.8356 -1.2096 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9378 0.8203 -1.7201 Si 0 0 0 0 0 4 0 0 0 0 0 0
9.9969 -0.2234 -0.6102 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0837 0.2977 -3.5182 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5675 2.5757 -1.6336 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3143 0.0004 1.5270 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4746 1.5742 2.0184 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.6548 1.7021 3.7375 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7242 2.8893 0.9785 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3028 1.9113 2.3378 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7696 -1.8379 -0.4509 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1525 -2.6518 -1.7812 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.3436 -1.6253 -3.0685 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5872 -3.5741 -2.5957 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9953 -3.9974 -1.1348 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0990 -0.4917 0.7636 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3094 -0.0932 0.1465 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0687 0.7780 1.0738 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3399 1.3724 0.6109 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7091 0.2078 0.1406 Si 0 0 0 0 0 4 0 0 0 0 0 0
-7.7977 1.0519 -0.8361 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.3810 0.5477 -0.9174 Si 0 0 0 0 0 4 0 0 0 0 0 0
-10.4463 2.1352 -0.8531 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.8564 -0.2650 -2.5464 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.0096 -0.5280 0.4354 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0241 -1.1353 -0.6847 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9768 -0.9994 -2.3645 Si 0 0 0 0 0 4 0 0 0 0 0 0
-4.2436 -1.5817 -2.8880 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1587 -2.2398 -3.1406 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1793 0.7000 -3.0376 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4709 -0.3896 1.5243 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.6401 0.6265 2.8416 Si 0 0 0 0 0 4 0 0 0 0 0 0
-9.1112 -0.0304 3.8525 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0373 2.3554 2.3267 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1907 0.5922 4.0303 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9093 -2.3278 3.4360 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2356 -1.8544 2.9123 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4675 1.4096 0.0248 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5577 -0.0267 -1.0259 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6608 1.2342 -0.7658 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6682 0.9265 1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8933 -1.4838 0.7056 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8842 -1.3440 -1.0601 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1714 -1.2105 -1.0934 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5532 -0.4096 0.3685 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0140 0.2362 -0.4562 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8839 0.9022 -4.0381 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4156 -0.7454 -3.6012 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1535 0.4736 -4.0737 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1862 3.1793 -2.5064 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6781 2.6142 -1.6223 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1774 3.0713 -0.7324 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5647 1.8299 3.5802 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0677 2.5573 4.2718 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8876 0.7565 4.2669 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6366 3.0896 1.2089 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8877 2.7738 -0.1029 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2012 3.8925 1.2186 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8452 0.9722 2.5724 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4282 2.5562 3.2506 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7708 2.4784 1.5071 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3419 -2.0907 -3.2895 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2061 -0.5713 -2.8541 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8745 -1.6751 -4.0569 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5350 -3.0264 -2.5165 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7346 -4.5638 -2.1534 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3717 -3.6859 -3.6921 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3887 -4.4206 -1.9589 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6781 -4.7827 -0.6939 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4273 -3.5965 -0.2936 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8408 -1.0849 -0.0301 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1173 0.3417 -0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2419 0.2291 2.0263 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3762 1.6507 1.3156 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0953 2.1091 -0.2133 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7755 2.0642 1.4035 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.3283 2.6780 -1.8139 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1154 2.7160 0.0287 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.4719 1.7821 -0.6631 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3823 0.2087 -3.3938 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9664 -0.0620 -2.6700 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7757 -1.3534 -2.4520 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3607 -1.3731 0.7199 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.4272 0.0479 1.2962 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9409 -1.0489 0.0296 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8901 -2.3242 -2.1601 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2886 -2.0875 -3.8809 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5370 -0.7313 -2.9165 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7873 -2.6738 -2.3330 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7515 -1.7544 -3.9248 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6295 -3.1049 -3.5874 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4039 0.9288 -3.8367 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0095 1.4616 -2.2710 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1414 0.8771 -3.5763 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3439 -1.0553 3.5139 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9043 -0.0359 4.9226 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0170 0.5969 3.5989 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3804 3.0825 2.8567 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0466 2.5104 1.2401 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0949 2.5854 2.6502 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4858 1.4010 3.6906 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5834 0.8313 5.0313 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7487 -0.4029 3.9960 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