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
3.9892 -1.5604 0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6643 -1.4211 -0.7126 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4354 -0.7483 -1.0953 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1384 -0.6221 -2.2930 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5478 -0.2226 -0.1608 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3599 0.4243 -0.6030 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3570 1.8791 -0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0097 2.4185 0.0744 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8270 3.8135 0.6828 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8233 1.6231 1.0347 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1557 0.2697 1.2932 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8222 -0.3021 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6829 -1.7955 -0.0394 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9501 -2.4146 0.5321 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4732 -2.3390 -1.4332 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9055 -2.0628 0.8226 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3747 -1.1912 1.3667 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3090 -1.8061 -1.4856 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3207 0.3988 -1.7152 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8045 2.4845 -1.0102 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9477 1.9737 0.7581 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5716 2.5946 -0.8772 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0196 4.3747 0.1841 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7785 4.3554 0.7378 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5006 3.6140 1.7432 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9876 2.0883 2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8150 1.3698 0.5576 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2309 0.4399 1.8971 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9026 -0.3344 1.8372 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7025 -0.0665 -0.7294 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1528 -2.1355 0.5907 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8226 -2.5311 1.6374 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1332 -3.4024 0.0557 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7971 -1.7651 0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5312 -1.4911 -2.1395 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2811 -3.0340 -1.6980 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5114 -2.8759 -1.5185 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