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
3.5839 3.6030 0.4036 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0021 2.6138 -0.2442 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0244 1.7742 0.4268 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7312 1.9923 1.6328 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3768 0.7220 -0.1897 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4224 -0.1032 0.4533 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9738 -1.5178 0.4094 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1407 -2.5431 0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5139 -3.9027 0.5298 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8674 -2.4333 -0.9181 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8990 -0.9942 -1.4168 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9119 -0.1029 -0.2165 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4050 1.2963 -0.5157 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7573 1.2133 -1.1915 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6382 1.9906 0.8295 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3510 3.8162 1.4470 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3158 4.2496 -0.0601 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2756 2.4557 -1.2722 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2831 0.2304 1.5177 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7032 -1.6917 1.2285 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4918 -1.6190 -0.5755 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8117 -2.3659 1.2610 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1359 -3.8926 1.4631 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2596 -3.9904 -0.3093 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2201 -4.7290 0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4313 -3.0641 -1.7011 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9201 -2.7538 -0.7783 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7975 -0.8846 -2.0328 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0212 -0.7838 -2.0300 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6469 -0.5363 0.5137 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6560 1.8368 -1.1086 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2612 0.2986 -0.7629 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3502 2.1322 -0.9481 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6693 1.1791 -2.2795 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6272 2.4994 0.8542 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8310 2.7473 0.9788 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6237 1.2577 1.6669 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