Monomers

2-Cyclohexylacrylic acid methyl ester

Identifiers

IUPAC name
methyl 2-cyclohexylprop-2-enoate
InchI
InChI=1S/C10H16O2/c1-8(10(11)12-2)9-6-4-3-5-7-9/h9H,1,3-7H2,2H3
InchI Key
XHYNRSNMLFADHQ-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)C1CCCCC1
Canonical SMILES
COC(=O)C(=C)C1CCCCC1
Isomeric SMILES
COC(=O)C(=C)C1CCCCC1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H16O2
Heavy Atom Count
12
Molecular Weight
168.236
Exact Molecular Weight
168.115
Valence Electrons
68
Radical Electrons
0
tPSA
26.3
MolLogP
2.2959
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

 28 28  0  0  0  0  0  0  0  0999 V2000
    4.0787    0.8228    0.6897 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2023   -0.0389   -0.0127 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8272    0.1079    0.1014 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4185    1.0273    0.8459 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9753   -0.8000   -0.6384 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4754   -1.7463   -1.4091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4992   -0.6793   -0.5498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9469    0.6472   -1.1195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3997    0.8637   -0.8432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5436    0.9488    0.6825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083   -0.4424    1.1938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9091   -0.8893    0.8691 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3363    0.4647    1.6929 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9691    0.9697    0.0442 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5578    1.8204    0.7241 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8786   -2.4246   -1.9618 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5665   -1.8399   -1.4851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0044   -1.4741   -1.1548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3647    1.4536   -0.6177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625    0.6234   -2.2122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7612    1.8163   -1.2440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9985   -0.0074   -1.1700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7445    1.6364    1.0432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5491    1.2702    0.9739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0074   -1.1253    0.6683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4196   -0.4935    2.2958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9118   -2.0098    1.0301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1554   -0.5016    1.5632 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12  7  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  6 16  1  0
  6 17  1  0
  7 18  1  0
  8 19  1  0
  8 20  1  0
  9 21  1  0
  9 22  1  0
 10 23  1  0
 10 24  1  0
 11 25  1  0
 11 26  1  0
 12 27  1  0
 12 28  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers