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
5.0541 -0.8623 -0.0425 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9640 -0.7790 0.7005 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7370 -0.2256 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7150 0.1755 -1.0474 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5883 -0.1227 0.8829 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3732 0.3909 0.4379 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0622 1.6308 1.2273 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0840 2.3173 0.3494 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6561 3.5161 1.1229 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1439 1.4520 -0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9305 0.0008 -0.2378 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7812 -0.5404 0.5428 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4908 -1.9478 0.1199 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7663 -2.7593 0.2883 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1012 -2.0691 -1.2412 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9651 -1.2712 0.3633 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0643 -0.5301 -1.0568 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9878 -1.1244 1.7240 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4829 0.7061 -0.6159 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8040 2.2563 1.4119 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5509 1.3434 2.1833 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4950 2.7982 -0.4686 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3998 3.1760 1.8573 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8512 4.0725 1.6170 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2183 4.1693 0.3988 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0846 1.6420 0.4252 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4226 1.8145 -1.2083 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7840 -0.3453 -1.3039 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8424 -0.5841 0.0881 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0885 -0.5810 1.6216 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2294 -2.3702 0.8749 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4750 -2.5783 -0.5278 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4603 -3.8331 0.2442 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2368 -2.4797 1.2357 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1799 -2.3966 -1.1836 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0005 -1.1585 -1.8661 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4222 -2.9029 -1.7660 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