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
4.5862 -2.6562 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8442 -1.6064 0.3423 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4933 -1.4567 -0.1894 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0414 -2.3410 -0.9382 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7192 -0.3741 0.1151 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3904 -0.2310 -0.4104 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3386 0.9893 -1.2709 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2894 2.2806 -0.5257 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4363 3.2807 -1.4399 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4226 2.2588 0.7645 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2374 1.0387 1.0442 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5441 -0.2514 0.7416 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5274 -1.3840 0.5338 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5183 -1.4613 1.6832 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3081 -1.2662 -0.7295 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1921 -3.4208 -0.6061 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5688 -2.7432 0.4430 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2350 -0.8474 0.9864 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2143 -1.1258 -1.0384 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2696 0.9969 -1.8984 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4942 0.8651 -1.9932 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3156 2.6937 -0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3837 2.7642 -1.7321 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1255 3.4298 -2.3874 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6531 4.2232 -0.9153 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0370 3.1733 0.8921 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3514 2.3219 1.5874 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5894 1.0165 2.0957 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1536 1.0960 0.4211 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0149 -0.5363 1.7036 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0106 -2.3737 0.5264 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0934 -0.5187 1.7624 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1517 -2.3432 1.5034 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9200 -1.6724 2.5963 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3024 -1.7909 -0.6733 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7455 -1.8028 -1.5221 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4313 -0.2252 -1.1021 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