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
3.3916 -3.0578 -0.7773 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7348 -1.9318 -1.0004 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6874 -1.5150 -0.0837 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4076 -2.2353 0.9289 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9666 -0.3443 -0.2685 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0226 -0.0051 0.6476 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4237 1.2749 1.3421 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1163 2.4951 0.5139 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2796 3.4918 0.5483 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1512 2.1769 -0.9328 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3903 1.3010 -0.9918 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3695 0.2411 0.0837 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0654 -0.9856 -0.4397 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2514 -2.0169 0.6811 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3520 -1.6697 -1.5529 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1717 -3.4304 -1.4029 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1497 -3.6811 0.0987 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9915 -1.3514 -1.8552 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1127 -0.7622 1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0338 1.3750 2.3485 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5222 1.2046 1.4787 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7501 3.0346 0.9503 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1878 3.0496 0.0949 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9857 4.3454 -0.1009 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4590 3.8788 1.5631 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4007 3.1269 -1.4379 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7238 1.7012 -1.3904 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5280 0.8543 -2.0062 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2627 1.9951 -0.8659 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0149 0.6349 0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0929 -0.7392 -0.7758 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1160 -2.6813 0.4506 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3649 -1.4669 1.6282 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3267 -2.6314 0.6812 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7807 -2.5669 -1.1738 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1055 -2.1018 -2.2428 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7070 -1.0074 -2.1534 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