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
4.6125 -2.0411 -0.5890 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4931 -1.7607 0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5446 -0.8253 -0.5195 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8159 -0.2783 -1.6161 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3567 -0.5126 0.1140 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4771 0.4124 -0.4843 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4421 1.6260 0.4138 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7250 2.5382 0.0688 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6118 3.7147 1.0215 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9989 1.8166 0.3256 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9766 0.3591 0.0849 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8750 -0.1669 -0.7429 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7974 -1.6799 -0.5149 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2134 -2.1976 -0.7981 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4749 -2.0343 0.8955 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9067 -1.6036 -1.5386 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3308 -2.7489 -0.1736 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2746 -2.2348 0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9359 0.7497 -1.4342 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3729 1.3343 1.4795 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3532 2.2502 0.3103 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6013 2.8546 -0.9882 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4374 4.1153 0.9966 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3052 4.5054 0.6661 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8206 3.3726 2.0361 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8019 2.3371 -0.2747 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2911 2.0127 1.3904 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0274 -0.2015 1.0597 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9476 0.0843 -0.4257 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1284 -0.0476 -1.8165 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1046 -2.1408 -1.2608 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1415 -3.3071 -0.9514 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8091 -2.0388 0.1272 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6461 -1.6961 -1.6779 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4907 -2.6204 0.8951 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2178 -2.7453 1.3481 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3283 -1.2012 1.5781 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