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
4.1289 1.9657 -1.5323 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0328 2.1323 -0.8449 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1331 1.0208 -0.6189 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3413 -0.1412 -1.0558 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9402 1.1432 0.1132 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0606 0.0919 0.3438 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0197 -0.3185 1.8198 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6571 -1.6512 1.9170 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4173 -2.6608 2.3404 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2857 -2.1241 0.6524 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0197 -1.0743 -0.1176 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3385 0.2713 -0.0941 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5675 0.9534 -1.3952 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0262 2.3573 -1.4618 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0786 0.1446 -2.5765 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3540 0.9883 -1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8428 2.7673 -1.7334 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7783 3.0923 -0.4356 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5041 -0.8158 -0.1667 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0805 -0.3389 2.1457 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4989 0.4233 2.4334 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4378 -1.6573 2.7192 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1259 -2.1304 3.0079 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0178 -3.4842 2.9282 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9994 -2.9993 1.4598 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0400 -2.9137 0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5549 -2.6378 -0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0725 -0.9641 0.1656 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0300 -1.4139 -1.1953 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8772 0.8730 0.6909 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6776 1.0349 -1.5231 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7183 2.9723 -2.0731 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0133 2.8176 -0.4541 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0318 2.4037 -1.9483 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1986 -0.4787 -2.3129 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7374 0.8316 -3.3780 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8794 -0.4809 -3.0243 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