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
4.3456 -2.9433 0.8118 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1931 -2.7371 0.2173 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4626 -1.5136 0.4385 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9602 -0.6533 1.2146 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2549 -1.2095 -0.1363 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6169 -0.0096 0.1287 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5011 0.8816 -1.1076 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1835 2.2637 -0.5753 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2971 3.3325 -1.6130 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1884 2.2004 0.0433 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1732 1.2391 1.1935 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7275 -0.1528 0.7901 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7818 -0.7349 -0.0904 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0652 -0.8105 0.7235 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4828 -2.1186 -0.5824 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8875 -3.8460 0.6503 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7347 -2.1842 1.4661 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7472 -3.4819 -0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2461 0.5732 0.8338 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2505 0.5378 -1.8133 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5249 0.9477 -1.5455 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9003 2.4466 0.2708 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1510 3.1421 -2.2946 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6676 3.4468 -2.1674 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5501 4.2947 -1.0848 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9171 1.9412 -0.7414 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4401 3.1915 0.4249 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5287 1.6754 1.9848 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2273 1.2011 1.5928 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5848 -0.7295 1.7181 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9842 -0.0962 -0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6154 -1.7650 0.5262 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7492 0.0147 0.5045 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8453 -0.8273 1.8191 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4378 -2.6846 -0.7766 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9609 -2.0974 -1.5635 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9290 -2.7349 0.1505 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