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
4.4161 -2.1654 -0.3983 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4737 -1.6418 0.3657 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3739 -0.8948 -0.1903 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3089 -0.7374 -1.4290 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3644 -0.3288 0.5733 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3099 0.3943 -0.0337 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3515 1.8170 0.4289 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8990 2.5820 0.2936 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8782 3.7549 1.2592 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1634 1.8087 0.5153 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0912 0.5664 -0.3494 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9742 -0.2790 0.2722 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1479 -1.6628 -0.2107 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1866 -2.6808 0.2822 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1725 -1.7594 -1.7339 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4170 -2.0650 -1.4749 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2314 -2.7218 0.0421 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5216 -1.7725 1.4369 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4678 0.3817 -1.1444 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1448 2.3387 -0.1568 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6284 1.7897 1.5235 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9765 3.0352 -0.7347 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1737 4.0719 1.4915 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2762 3.3647 2.2269 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4598 4.6139 0.8794 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3597 1.5476 1.5619 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9993 2.4320 0.0883 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0288 -0.0001 -0.3659 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7935 0.9160 -1.3713 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1422 -0.2080 1.3741 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1887 -1.9822 0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3347 -2.3784 1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5014 -3.0670 -0.4984 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7707 -3.5970 0.5928 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9235 -2.8173 -2.0196 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4052 -1.1279 -2.2047 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1821 -1.5275 -2.1206 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