Monomers
2-Propenoic acid, 5-methyl-2-(1-methylethyl)cyclohexyl ester
Identifiers
IUPAC name
(5-methyl-2-propan-2-ylcyclohexyl) prop-2-enoate
InchI
InChI=1S/C13H22O2/c1-5-13(14)15-12-8-10(4)6-7-11(12)9(2)3/h5,9-12H,1,6-8H2,2-4H3
InchI Key
XJBRSZAYOKVFRH-UHFFFAOYSA-N
SMILES
C=CC(=O)OC1CC(C)CCC1C(C)C
Canonical SMILES
CC1CCC(C(C1)OC(=O)C=C)C(C)C
Isomeric SMILES
CC1CCC(C(C1)OC(=O)C=C)C(C)C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C13H22O2
Heavy Atom Count
15
Molecular Weight
210.317
Exact Molecular Weight
210.162
Valence Electrons
86
Radical Electrons
0
tPSA
26.3
MolLogP
3.1764
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
1
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0
MOL File
RDKit 3D
37 37 0 0 0 0 0 0 0 0999 V2000
-2.9116 -4.2682 0.3222 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0155 -3.4446 -0.1953 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7420 -2.1666 0.4431 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3752 -1.8751 1.4863 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8274 -1.2563 -0.0309 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5271 -0.0263 0.5358 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9931 1.0442 -0.4623 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9546 2.3370 0.3249 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6156 3.4624 -0.4043 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5003 2.6536 0.5388 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2814 1.5833 1.1836 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9156 0.1846 0.8458 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7507 -0.4179 -0.2517 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2362 -0.2336 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5340 -1.9210 -0.3341 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4637 -4.0143 1.2314 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1525 -5.2227 -0.1074 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4990 -3.7542 -1.1019 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1012 0.2017 1.4587 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9995 0.8216 -0.8487 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2151 1.0670 -1.2498 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5044 2.1613 1.2686 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9168 4.1630 -0.8887 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2275 3.0129 -1.2262 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3332 4.0044 0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5313 3.5818 1.1754 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9206 2.9584 -0.4430 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2437 1.7499 2.3007 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3645 1.7372 0.9283 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1359 -0.4382 1.7659 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5312 0.0215 -1.2346 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6027 0.7501 -0.3578 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4991 -0.4458 1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7519 -0.9967 -0.6214 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1413 -2.3314 0.6192 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5063 -2.4746 -0.4859 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9281 -2.2085 -1.2236 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
3 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
8 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
13 15 1 0
12 6 1 0
1 16 1 0
1 17 1 0
2 18 1 0
6 19 1 0
7 20 1 0
7 21 1 0
8 22 1 0
9 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
13 31 1 0
14 32 1 0
14 33 1 0
14 34 1 0
15 35 1 0
15 36 1 0
15 37 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers