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
3.8127 -1.6798 1.2794 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0461 -2.5865 0.7273 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7844 -2.1971 0.1368 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0197 -3.0355 -0.4028 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3744 -0.8818 0.1458 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1199 -0.4901 -0.4398 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4859 0.3066 -1.6395 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4805 1.7851 -1.4964 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7679 2.2029 -0.8156 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6758 2.3051 -0.6864 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7411 1.6345 0.6406 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7631 0.1452 0.5648 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1919 -0.3338 0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3102 -1.8195 0.8896 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9818 -0.0715 -0.6411 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7755 -1.9083 1.7416 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5435 -0.6210 1.3182 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3447 -3.6099 0.7097 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3257 -1.4456 -0.8253 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2171 0.0378 -2.4728 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4963 -0.0179 -2.0338 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4513 2.3090 -2.4733 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7034 3.2398 -0.4418 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6460 2.0710 -1.5126 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0010 1.5638 0.0644 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4907 3.4000 -0.4892 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6456 2.2552 -1.1912 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7108 1.9635 1.1187 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0524 1.9753 1.3443 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3599 -0.2026 1.5868 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7373 0.1668 1.4457 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5056 -2.4296 0.4787 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2624 -2.2393 0.5169 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2481 -1.9430 2.0068 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8254 -0.7944 -0.7246 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4138 0.0250 -1.5758 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4994 0.9205 -0.5049 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