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
2.1528 -4.8096 0.3042 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2337 -3.5081 0.4082 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0714 -2.6745 0.1824 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0651 -3.1748 -0.1234 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0929 -1.2982 0.2764 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0159 -0.4458 0.0644 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3518 0.1584 1.3766 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5138 1.3586 1.7493 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0931 1.8398 3.1016 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2860 2.3837 0.6635 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7585 1.7932 -0.6122 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1245 0.5007 -1.0311 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0394 0.7749 -1.9128 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4994 -0.5198 -2.5990 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2279 1.4372 -1.3328 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1938 -5.2713 0.0432 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0315 -5.4281 0.4758 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1713 -3.0636 0.6626 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8626 -1.1589 -0.1819 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2016 -0.5556 2.2357 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4256 0.4275 1.4427 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5855 1.0789 1.7237 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2687 1.0191 3.8200 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7680 2.7106 3.3518 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9527 2.1884 3.0672 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9895 3.2330 0.8984 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7109 2.8142 0.6776 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6237 2.5831 -1.4048 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8835 1.6940 -0.5309 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9125 0.0350 -1.7446 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7105 1.4221 -2.7824 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6257 -0.9476 -3.1537 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9619 -1.2145 -1.8989 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2689 -0.2858 -3.3761 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0294 1.3755 -2.1405 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1066 2.5578 -1.2296 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6990 0.9706 -0.4711 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