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
    5.0903    0.0747   -0.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9414    0.5034    0.2572 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6674    0.0998   -0.2961 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6705   -0.7025   -1.2650 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4493    0.5367    0.1688 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1906    0.1298   -0.3876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4482    1.3080   -0.9963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4981    1.9876   -0.1916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9406    2.8614    0.9046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4852    1.0228    0.4222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7319    0.0493    1.2455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6189   -0.6604    0.5774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0435   -2.0224    0.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2387   -2.7634   -0.3011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8558   -1.9052   -1.2226 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1282   -0.6101   -1.0265 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0038    0.4032    0.2426 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9425    1.1902    1.0868 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4717   -0.5764   -1.2261 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3342    2.0890   -1.2358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8991    1.0814   -2.0042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0781    2.6543   -0.8671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7994    3.9133    0.5513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6187    2.9112    1.7792 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0503    2.5141    1.2591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1842    0.6024   -0.3053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1150    1.6429    1.1267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3470    0.6023    2.1533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4372   -0.7018    1.6554 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0950   -0.9615    1.4079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6343   -2.5093    0.7927 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1265   -3.8593   -0.1720 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5301   -2.6217   -1.3741 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -2.4211    0.3386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9403   -1.6722   -1.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4405   -1.2541   -2.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8863   -2.9364   -1.6839 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