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
4.1932 0.5147 -1.1819 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9697 0.3517 0.0942 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6051 0.3076 0.6533 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3884 0.1508 1.8806 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4803 0.4346 -0.1282 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1933 0.3963 0.3733 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6038 1.6599 0.1639 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5277 1.5647 -1.0325 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0585 2.9143 -1.3906 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6667 0.6338 -0.6543 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0761 -0.4381 0.2345 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6450 -0.7469 -0.1581 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2997 -2.0677 0.4786 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4981 -2.0737 1.9739 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0819 -2.5350 0.1432 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3394 0.6191 -1.8353 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2143 0.5389 -1.5333 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7724 0.2406 0.8074 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2655 0.2493 1.4724 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2552 1.8773 1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0719 2.5578 0.0779 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0270 1.1273 -1.9170 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3263 2.9226 -2.4871 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3137 3.6990 -1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0177 3.0889 -0.8614 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0936 0.1702 -1.5457 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3890 1.2432 -0.0725 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7328 -1.3171 0.2017 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0291 0.0038 1.2604 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5307 -0.8751 -1.2511 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0463 -2.8040 0.0681 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2921 -1.5232 2.4803 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5020 -3.1535 2.2809 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4754 -1.6746 2.2769 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7328 -2.4309 1.0382 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4667 -2.0084 -0.7408 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0471 -3.6183 -0.0917 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