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
1.7596 -3.9350 -0.1957 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8855 -3.3145 0.9551 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4104 -1.9593 1.1462 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5234 -1.3432 2.2474 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7900 -1.2265 0.1288 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3180 0.0752 0.2603 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1303 1.0864 -0.5188 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8658 2.4367 0.1312 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7355 2.6525 1.3517 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5690 2.7230 0.3537 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5661 1.6886 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1456 0.2482 0.1019 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8120 -0.5489 -0.9717 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6531 -2.0467 -0.7846 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5074 -0.2183 -2.3761 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1093 -4.9452 -0.3516 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2908 -3.4375 -1.0393 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3529 -3.8311 1.7691 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5579 0.3531 1.3372 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8461 1.1930 -1.5603 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1897 0.8272 -0.4274 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2946 3.1758 -0.6084 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6724 2.1225 1.3449 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1488 2.2883 2.2334 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9312 3.7267 1.5386 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6364 3.0834 1.4279 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8590 3.6577 -0.2164 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4557 1.8845 0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0054 1.8586 -0.9359 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5902 -0.1742 1.0615 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9237 -0.3691 -0.8249 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8367 -2.4150 -1.4483 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5834 -2.5992 -1.0229 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3322 -2.2122 0.2538 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2672 0.8115 -2.6131 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6775 -0.8360 -2.8046 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3915 -0.4809 -3.0354 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