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
    4.4161   -2.1654   -0.3983 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4737   -1.6418    0.3657 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3739   -0.8948   -0.1903 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3089   -0.7374   -1.4290 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3644   -0.3288    0.5733 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3099    0.3943   -0.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3515    1.8170    0.4289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8990    2.5820    0.2936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8782    3.7549    1.2592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1634    1.8087    0.5153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0912    0.5664   -0.3494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9742   -0.2790    0.2722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1479   -1.6628   -0.2107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1866   -2.6808    0.2822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1725   -1.7594   -1.7339 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4170   -2.0650   -1.4749 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2314   -2.7218    0.0421 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5216   -1.7725    1.4369 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4678    0.3817   -1.1444 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1448    2.3387   -0.1568 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6284    1.7897    1.5235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9765    3.0352   -0.7347 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1737    4.0719    1.4915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2762    3.3647    2.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4598    4.6139    0.8794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3597    1.5476    1.5619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9993    2.4320    0.0883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0288   -0.0001   -0.3659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7935    0.9160   -1.3713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1422   -0.2080    1.3741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1887   -1.9822    0.0930 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3347   -2.3784    1.2220 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5014   -3.0670   -0.4984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7707   -3.5970    0.5928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9235   -2.8173   -2.0196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4052   -1.1279   -2.2047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1821   -1.5275   -2.1206 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