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
4.3207 0.4201 -1.1907 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9211 1.2883 -0.2918 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6092 1.2016 0.3163 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1998 2.0198 1.1804 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7635 0.1934 -0.0516 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4610 0.0297 0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3197 -1.2557 1.2459 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4347 -2.3257 0.5335 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8206 -3.3869 1.5457 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6817 -1.8769 -0.1593 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8632 -0.3586 -0.0228 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5747 0.2127 -0.5873 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7406 1.6856 -0.8454 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1884 2.4311 0.3808 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8105 1.9044 -1.9129 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2784 0.4430 -1.6668 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6501 -0.3971 -1.4965 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5801 2.0803 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3241 0.8567 1.2170 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1430 -1.0960 2.2428 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3493 -1.6335 1.4424 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2184 -2.8270 -0.2120 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5645 -4.0925 1.1639 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3052 -2.8432 2.4029 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0875 -3.8713 1.9534 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6338 -2.0625 -1.2572 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6027 -2.3848 0.1974 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9168 -0.2002 1.0896 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7541 -0.0462 -0.5554 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2812 -0.3315 -1.5186 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1718 2.1510 -1.2338 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3230 3.0253 0.7683 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4918 1.7815 1.2215 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9720 3.1876 0.1526 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7273 2.9913 -2.1960 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8242 1.7562 -1.5135 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6009 1.3302 -2.8327 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