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
    3.3211   -3.2103    0.7207 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6876   -3.1246   -0.4251 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7136   -2.0845   -0.7247 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1435   -2.0603   -1.8412 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3703   -1.0912    0.1784 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4232   -0.0776   -0.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1683    1.2264   -0.1777 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1568    2.2916   -0.5184 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9434    3.5928   -0.6960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8641    2.4366    0.5507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1674    1.2350    1.3471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7452   -0.0789    0.8039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9288   -0.8534    0.2202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4096   -0.2932   -1.0715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5977   -2.3115    0.0267 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0272   -4.0065    0.8700 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1669   -2.5153    1.5269 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8865   -3.8558   -1.1990 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0635   -0.2785   -1.1613 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7078    1.4850    0.7341 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8620    1.1542   -1.0505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3297    2.0734   -1.4747 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7972    3.4509   -1.3708 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2938    4.4046   -1.0699 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3655    3.8854    0.2937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7904    2.8554    0.0536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5201    3.2915    1.2075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2893    1.1934    1.4925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7922    1.3993    2.4021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4412   -0.7121    1.6936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7690   -0.7337    0.9653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4034    0.7917   -1.1486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8878   -0.7854   -1.9440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4843   -0.6162   -1.1941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4314   -2.5852   -1.0315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7629   -2.5955    0.6959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4837   -2.8975    0.4011 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