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
3.7521 -2.6234 -0.8424 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3191 -2.4236 0.3723 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2535 -1.5107 0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8972 -1.3775 1.9188 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5676 -0.7374 -0.2115 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5265 0.1499 0.1607 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9905 1.5303 -0.3268 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0508 2.5219 0.1776 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4194 3.9423 0.0456 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3158 2.2505 -0.5957 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7903 0.8635 -0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7617 -0.1740 -0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2216 -1.5319 -0.1416 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4788 -1.6858 1.3256 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4338 -2.0074 -0.8912 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5441 -3.3120 -1.0407 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3077 -2.0894 -1.6558 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7836 -2.9790 1.2048 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3324 0.1546 1.2371 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8915 1.5174 -1.4358 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9977 1.7730 0.0216 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2036 2.3111 1.2492 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0628 4.5520 0.8617 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5158 3.9492 0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2719 4.3744 -0.9487 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1092 2.9826 -0.3568 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1204 2.2158 -1.6824 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7432 0.6951 -0.7307 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0239 0.9111 0.8828 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6166 -0.1579 -1.6322 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3902 -2.2512 -0.4008 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3495 -0.7788 1.9163 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8354 -2.4843 1.7979 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5305 -2.0444 1.5267 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1473 -2.5405 -0.2049 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0056 -1.2204 -1.3817 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1796 -2.7652 -1.6731 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