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
4.7515 1.4128 -0.4922 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5083 1.1635 -0.8518 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5678 0.5656 0.0859 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9522 0.2819 1.2637 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2616 0.2794 -0.2202 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3343 -0.3054 0.6903 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0543 -1.6902 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2297 -2.2786 0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4089 -3.6398 0.0885 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3191 -1.3192 0.1722 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1635 -0.0846 0.9882 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8200 0.5682 0.9126 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9512 1.7258 -0.0718 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0903 1.2950 -1.4906 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1398 2.7488 0.1391 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4806 1.8537 -1.1523 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0644 1.1680 0.5075 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2228 1.4191 -1.8593 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9294 -0.4498 1.6429 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9174 -2.3662 0.4610 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0060 -1.6594 -0.9234 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2338 -2.2825 1.7883 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5017 -4.2339 0.3289 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2827 -4.1770 0.5507 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5503 -3.5154 -1.0103 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1028 -1.1743 -0.9013 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3167 -1.7339 0.3476 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9758 0.6284 0.6706 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4200 -0.3430 2.0442 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6830 1.0878 1.9115 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9213 2.2306 0.2127 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1727 1.0765 -1.7282 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8675 2.2062 -2.1208 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4097 0.5175 -1.8318 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2744 3.7682 0.2633 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8573 2.7649 -0.7175 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6470 2.4913 1.0913 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