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
4.3540 -2.1987 0.6969 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5537 -1.5784 -0.1212 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3549 -0.9172 0.3504 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0415 -0.9195 1.5834 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4710 -0.2432 -0.4822 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2986 0.4025 -0.0151 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4801 1.8701 -0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7279 2.6930 -0.2781 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0302 3.2509 1.1069 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9489 2.0416 -0.8704 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1094 0.6939 -0.2089 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9098 -0.1318 -0.6813 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1998 -1.5639 -0.4836 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4079 -1.9803 0.9429 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1656 -2.4599 -1.1170 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1203 -2.2208 1.7454 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2442 -2.6908 0.3535 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7800 -1.5521 -1.1670 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2841 0.2300 1.1013 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1667 2.2422 0.5716 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0764 2.0053 -1.1843 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5234 3.6032 -0.9172 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4396 4.2845 1.0398 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7464 2.6259 1.6602 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0856 3.2501 1.7128 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7914 1.8647 -1.9452 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8055 2.7119 -0.6928 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1239 0.7712 0.8992 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0674 0.2388 -0.5703 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8257 0.0777 -1.7685 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1720 -1.8085 -1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4631 -2.1045 1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1324 -1.3414 1.4706 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8711 -3.0095 0.9086 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4423 -2.9771 -0.3332 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6304 -3.2532 -1.7712 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5095 -1.9067 -1.8001 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