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
3.6734 -2.8393 -0.2706 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0881 -2.6748 0.8934 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0154 -1.6983 1.1044 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4669 -1.5579 2.2343 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5455 -0.8817 0.0889 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5068 0.0397 0.3618 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1334 1.4244 0.1398 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0326 2.4235 0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6295 3.7961 0.5764 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9770 2.3245 -0.6510 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6078 0.9531 -0.6187 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5811 -0.1506 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2752 -1.4719 -0.4581 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9119 -1.6056 0.8881 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3857 -1.5994 -1.5004 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4502 -3.5242 -0.4863 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3251 -2.2088 -1.0951 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4094 -3.2807 1.7231 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1684 0.0055 1.4033 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3248 1.4868 -0.9544 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0315 1.5640 0.7493 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4777 2.1237 1.3967 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0602 4.5970 0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8032 3.9946 1.6639 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6120 3.8453 0.0608 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7843 3.0609 -0.5162 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5142 2.5171 -1.6300 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2463 0.8696 -1.5245 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2141 0.8922 0.2932 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0943 -0.1717 -1.6551 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6075 -2.3368 -0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3486 -2.6417 0.9344 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2522 -1.4191 1.7369 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8156 -0.9334 0.9752 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1113 -1.1081 -2.4404 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6137 -2.6654 -1.7193 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3377 -1.1487 -1.1317 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