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
3.3211 -3.2103 0.7207 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6876 -3.1246 -0.4251 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7136 -2.0845 -0.7247 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1435 -2.0603 -1.8412 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3703 -1.0912 0.1784 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4232 -0.0776 -0.1094 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1683 1.2264 -0.1777 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1568 2.2916 -0.5184 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9434 3.5928 -0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8641 2.4366 0.5507 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1674 1.2350 1.3471 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7452 -0.0789 0.8039 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9288 -0.8534 0.2202 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4096 -0.2932 -1.0715 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5977 -2.3115 0.0267 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0272 -4.0065 0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1669 -2.5153 1.5269 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8865 -3.8558 -1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0635 -0.2785 -1.1613 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7078 1.4850 0.7341 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8620 1.1542 -1.0505 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3297 2.0734 -1.4747 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7972 3.4509 -1.3708 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2938 4.4046 -1.0699 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3655 3.8854 0.2937 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7904 2.8554 0.0536 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5201 3.2915 1.2075 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2893 1.1934 1.4925 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7922 1.3993 2.4021 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4412 -0.7121 1.6936 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7690 -0.7337 0.9653 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4034 0.7917 -1.1486 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8878 -0.7854 -1.9440 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4843 -0.6162 -1.1941 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4314 -2.5852 -1.0315 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7629 -2.5955 0.6959 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4837 -2.8975 0.4011 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