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
    3.5084   -2.3314   -1.2343 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1887   -2.3634    0.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1189   -1.5346    0.5974 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8366   -1.5905    1.8200 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3780   -0.6600   -0.1813 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3441    0.1479    0.3421 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8389    1.5628    0.2246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1579    2.6123    0.5094 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2390    3.8593   -0.2967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5669    2.2802    0.0971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9560    0.8720    0.4956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9849   -0.0261   -0.2901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5394   -1.3963   -0.3047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6671   -2.3503   -1.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9273   -1.9029    1.0687 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2930   -2.9456   -1.6275 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9809   -1.6791   -1.9043 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7263   -3.0235    0.6924 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2691   -0.0769    1.4239 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6784    1.6665    0.9703 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3249    1.6833   -0.7722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1731    2.9550    1.5724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3216    3.8523   -1.2593 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    3.7935   -0.5838 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0224    4.7815    0.2404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2417    3.0375    0.4931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5945    2.3324   -1.0207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9902    0.6909    0.2009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7994    0.7482    1.5895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0386    0.3703   -1.3318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5190   -1.3329   -0.8682 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0244   -1.7977   -1.6822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2813   -2.9994   -1.7091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1133   -3.0588   -0.3974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0730   -2.2167    1.6700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5713   -2.8208    0.9349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5721   -1.1388    1.5373 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