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
4.1384 -2.5067 0.5456 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1223 -2.2062 -0.2294 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2177 -1.1194 0.1246 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3848 -0.4436 1.1761 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1325 -0.7677 -0.6638 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2898 0.2693 -0.3027 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3141 1.4324 -1.2802 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2903 2.6150 -0.5968 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0420 3.4606 -1.6323 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1057 2.3151 0.5991 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8254 1.0195 0.6067 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1424 -0.0948 -0.1129 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3818 -1.4429 0.4948 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7988 -1.6376 1.8458 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9244 -2.5663 -0.4108 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8235 -3.2982 0.3176 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2899 -1.9365 1.4447 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9755 -2.7786 -1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6456 0.7127 0.6719 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3100 1.6151 -1.7046 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3728 1.1607 -2.1261 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5660 3.2727 -0.2687 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4163 3.5007 -2.5546 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1436 4.5113 -1.2724 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0143 3.0048 -1.8917 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8787 3.1345 0.6942 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4881 2.4257 1.5388 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9431 0.6979 1.6833 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8825 1.1418 0.2421 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6030 -0.1370 -1.1463 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5058 -1.5430 0.5659 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6474 -0.7025 2.4188 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5005 -2.2552 2.4460 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1547 -2.2440 1.8214 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6705 -3.3838 -0.4129 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8284 -2.2014 -1.4589 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0408 -3.0246 -0.0461 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