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
5.0903 0.0747 -0.2013 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9414 0.5034 0.2572 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6674 0.0998 -0.2961 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6705 -0.7025 -1.2650 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4493 0.5367 0.1688 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1906 0.1298 -0.3876 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4482 1.3080 -0.9963 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4981 1.9876 -0.1916 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9406 2.8614 0.9046 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4852 1.0228 0.4222 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7319 0.0493 1.2455 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6189 -0.6604 0.5774 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0435 -2.0224 0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2387 -2.7634 -0.3011 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8558 -1.9052 -1.2226 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1282 -0.6101 -1.0265 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0038 0.4032 0.2426 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9425 1.1902 1.0868 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4717 -0.5764 -1.2261 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3342 2.0890 -1.2358 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8991 1.0814 -2.0042 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0781 2.6543 -0.8671 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7994 3.9133 0.5513 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6187 2.9112 1.7792 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0503 2.5141 1.2591 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1842 0.6024 -0.3053 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1150 1.6429 1.1267 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3470 0.6023 2.1533 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4372 -0.7018 1.6554 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0950 -0.9615 1.4079 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6343 -2.5093 0.7927 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1265 -3.8593 -0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5301 -2.6217 -1.3741 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 -2.4211 0.3386 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9403 -1.6722 -1.0293 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4405 -1.2541 -2.0021 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8863 -2.9364 -1.6839 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