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
4.6625 -1.3773 -0.7848 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3871 -1.2777 -1.0899 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4218 -0.8868 -0.0753 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8439 -0.6535 1.0773 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0643 -0.7640 -0.3340 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1873 -0.3785 0.7081 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8399 -1.4513 1.0157 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6430 -1.8011 -0.2137 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6677 -2.8417 0.1681 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4027 -0.5369 -0.6103 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4218 0.5727 -0.8865 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6003 0.8508 0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2409 2.0749 0.1618 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6719 3.2251 -0.1856 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1031 2.4237 1.3184 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0607 -1.1831 0.2003 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3696 -1.6682 -1.5462 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0474 -1.4858 -2.0977 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7584 -0.2188 1.6515 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4010 -2.3365 1.5071 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5535 -0.9951 1.7401 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0428 -2.1191 -1.0645 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3891 -2.9438 -0.6953 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2165 -3.8364 0.3404 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2642 -2.4705 1.0221 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0516 -0.7030 -1.4895 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0422 -0.2562 0.2637 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9845 1.5005 -1.1066 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7597 0.2747 -1.7121 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3359 1.0106 1.1826 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8853 1.8995 -0.7255 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2216 4.2070 0.0992 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9392 3.2659 -1.2538 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6363 3.1724 0.3975 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7537 2.0518 2.2956 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1310 3.5406 1.4002 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1682 2.1152 1.1160 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