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
3.9215 -3.5033 -0.2304 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3959 -2.3697 0.1661 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1337 -1.8483 -0.3424 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4601 -2.4846 -1.2206 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5812 -0.6561 0.0748 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3431 -0.1355 -0.4178 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6467 1.0997 -1.1933 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4255 2.3893 -0.4926 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6497 3.5305 -1.4327 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9707 2.3783 0.0917 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8719 1.3373 1.2149 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6622 -0.0383 0.6578 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9827 -0.6653 0.2439 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7700 -2.1282 -0.0788 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0226 -0.5935 1.3145 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3691 -4.0660 -0.9778 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8550 -3.8314 0.1838 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9132 -1.7842 0.9048 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0032 -0.8976 -1.1580 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7035 1.0821 -1.5368 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0457 1.1464 -2.1507 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1263 2.4366 0.3782 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2826 4.0709 -1.6953 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0898 3.1620 -2.3822 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4114 4.2128 -0.9871 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1716 3.3610 0.5444 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6905 2.0576 -0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7617 1.4566 1.8191 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0133 1.6446 1.8233 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3015 -0.6736 1.5210 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3816 -0.1956 -0.6798 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7342 -2.6477 0.0988 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0463 -2.5824 0.6369 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4709 -2.3047 -1.1273 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4660 0.3833 1.4764 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8563 -1.2709 0.9848 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6383 -1.0724 2.2563 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