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
    4.7515    1.4128   -0.4922 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5083    1.1635   -0.8518 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5678    0.5656    0.0859 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9522    0.2819    1.2637 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2616    0.2794   -0.2202 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3343   -0.3054    0.6903 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0543   -1.6902    0.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2297   -2.2786    0.6760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4089   -3.6398    0.0885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3191   -1.3192    0.1722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1635   -0.0846    0.9882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8200    0.5682    0.9126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9512    1.7258   -0.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0903    1.2950   -1.4906 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1398    2.7488    0.1391 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4806    1.8537   -1.1523 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0644    1.1680    0.5075 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2228    1.4191   -1.8593 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9294   -0.4498    1.6429 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9174   -2.3662    0.4610 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0060   -1.6594   -0.9234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2338   -2.2825    1.7883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5017   -4.2339    0.3289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2827   -4.1770    0.5507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5503   -3.5154   -1.0103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1028   -1.1743   -0.9013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3167   -1.7339    0.3476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9758    0.6284    0.6706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4200   -0.3430    2.0442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6830    1.0878    1.9115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9213    2.2306    0.2127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1727    1.0765   -1.7282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8675    2.2062   -2.1208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4097    0.5175   -1.8318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2744    3.7682    0.2633 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8573    2.7649   -0.7175 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6470    2.4913    1.0913 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