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
4.3421 -0.8674 -0.6434 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0275 -0.3581 0.5224 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6948 0.1102 0.8286 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4521 0.5859 1.9551 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6341 0.0689 -0.0629 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3626 0.5236 0.2511 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0683 1.7131 -0.6107 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3043 2.2743 0.0749 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8683 3.3864 -0.7742 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3719 1.2759 0.3243 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8999 -0.0383 0.8989 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7142 -0.5041 0.0879 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3254 -1.9117 0.3269 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7566 -2.3144 -0.6483 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4712 -2.8766 0.1767 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5619 -0.9334 -1.3967 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3039 -1.2270 -0.9238 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7883 -0.2864 1.2772 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2792 0.9147 1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6793 2.5036 -0.6317 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3156 1.2846 -1.6027 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9691 2.7038 1.0293 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2511 3.0317 -1.7373 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0671 4.1370 -0.9216 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6591 3.8878 -0.1493 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0808 1.7072 1.0617 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9924 1.0819 -0.5954 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6891 0.0649 1.9627 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7347 -0.7629 0.7863 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0696 -0.4328 -0.9878 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0603 -2.0644 1.3699 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8727 -1.5816 -1.4946 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7437 -2.4089 -0.1725 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4840 -3.2666 -1.1757 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0930 -2.9488 1.0879 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0249 -3.8747 -0.0718 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0731 -2.5972 -0.7214 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