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
3.5084 -2.3314 -1.2343 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1887 -2.3634 0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1189 -1.5346 0.5974 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8366 -1.5905 1.8200 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3780 -0.6600 -0.1813 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3441 0.1479 0.3421 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8389 1.5628 0.2246 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1579 2.6123 0.5094 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2390 3.8593 -0.2967 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5669 2.2802 0.0971 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9560 0.8720 0.4956 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9849 -0.0261 -0.2901 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5394 -1.3963 -0.3047 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6671 -2.3503 -1.0440 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9273 -1.9029 1.0687 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2930 -2.9456 -1.6275 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9809 -1.6791 -1.9043 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7263 -3.0235 0.6924 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2691 -0.0769 1.4239 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6784 1.6665 0.9703 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3249 1.6833 -0.7722 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1731 2.9550 1.5724 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3216 3.8523 -1.2593 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3167 3.7935 -0.5838 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0224 4.7815 0.2404 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2417 3.0375 0.4931 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5945 2.3324 -1.0207 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9902 0.6909 0.2009 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7994 0.7482 1.5895 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0386 0.3703 -1.3318 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5190 -1.3329 -0.8682 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0244 -1.7977 -1.6822 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2813 -2.9994 -1.7091 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1133 -3.0588 -0.3974 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0730 -2.2167 1.6700 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5713 -2.8208 0.9349 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5721 -1.1388 1.5373 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