Monomers
dicyclohexyl (E)-2-methylbut-2-enedioate
Identifiers
IUPAC name
dicyclohexyl (E)-2-methylbut-2-enedioate
InchI
InChI=1S/C17H26O4/c1-13(17(19)21-15-10-6-3-7-11-15)12-16(18)20-14-8-4-2-5-9-14/h12,14-15H,2-11H2,1H3/b13-12+
InchI Key
WDZZMAKHQUPSEW-OUKQBFOZSA-N
SMILES
O=C(/C=C(/C(=O)OC1CCCCC1)\C)OC1CCCCC1
Canonical SMILES
CC(=CC(=O)OC1CCCCC1)C(=O)OC2CCCCC2
Isomeric SMILES
C/C(=C\C(=O)OC1CCCCC1)/C(=O)OC2CCCCC2
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C17H26O4
Heavy Atom Count
21
Molecular Weight
294.391
Exact Molecular Weight
294.1831
Valence Electrons
118
Radical Electrons
0
tPSA
52.6
MolLogP
3.6845
H Bond Acceptors
4
H Bond Donors
0
Aliphatic Carbocycles
2
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
2
Aromatic Rings
0
MOL File
RDKit 3D
47 48 0 0 0 0 0 0 0 0999 V2000
1.9319 2.1883 -0.1279 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5309 0.9996 -0.0724 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1073 0.6995 -0.1077 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3375 -0.5446 -0.0508 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7657 -0.8278 -0.0872 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2207 -1.9976 -0.0352 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6619 0.2127 -0.1818 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0720 0.0209 -0.2228 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7280 0.7110 0.9251 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2317 0.7484 0.8497 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6530 0.0657 -0.4291 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0164 0.8236 -1.5789 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5288 0.5466 -1.5659 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5883 -1.6940 0.0514 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5085 0.0308 0.0214 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8580 0.3594 0.0518 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5294 -0.0308 1.3504 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6872 -0.9704 1.1427 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7161 -0.4083 0.1905 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0788 0.1854 -1.0455 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6184 -0.1655 -1.1504 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5959 1.5093 -0.1817 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2664 -1.0676 -0.1663 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3377 1.7390 1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4688 0.1458 1.8672 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5724 1.8234 0.8494 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7136 0.2277 1.7062 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7564 0.0524 -0.5388 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2802 -0.9570 -0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1812 1.9079 -1.3634 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5083 0.5315 -2.5044 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9396 1.4420 -1.7912 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3353 -0.2705 -2.3091 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2757 -1.7669 -0.8125 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1377 -1.5813 1.0122 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0352 -2.6360 0.0965 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9401 1.4650 -0.0103 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9045 0.8408 1.9257 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8085 -0.5524 2.0200 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1917 -1.0841 2.1248 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3919 -1.9749 0.8159 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4152 -1.2326 -0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3386 0.3877 0.6511 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5877 -0.2691 -1.9215 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2368 1.2712 -1.1034 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5298 -1.2407 -1.2857 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2234 0.3367 -2.0570 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
4 14 1 0
2 15 1 0
15 16 1 0
16 17 1 0
17 18 1 0
18 19 1 0
19 20 1 0
20 21 1 0
13 8 1 0
21 16 1 0
3 22 1 0
8 23 1 0
9 24 1 0
9 25 1 0
10 26 1 0
10 27 1 0
11 28 1 0
11 29 1 0
12 30 1 0
12 31 1 0
13 32 1 0
13 33 1 0
14 34 1 0
14 35 1 0
14 36 1 0
16 37 1 0
17 38 1 0
17 39 1 0
18 40 1 0
18 41 1 0
19 42 1 0
19 43 1 0
20 44 1 0
20 45 1 0
21 46 1 0
21 47 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers