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
    4.3590    0.2229    1.5782 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4057    0.1538    0.5163 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0618    0.3612    0.7104 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6122    0.6245    1.8508 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0781    0.2886   -0.3924 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5492    0.0138   -1.5818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3685    0.5215   -0.1300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8629   -0.3798    0.9638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1181   -1.1118    0.5502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1413   -0.1794   -0.0663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6128    0.5662   -1.2442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1185    0.3873   -1.4075 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3590    0.2160    1.0699 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3285   -0.6946    2.2001 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2002    1.1296    2.1892 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8734   -0.0483   -2.4072 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5921   -0.1473   -1.7334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5179    1.5747    0.2352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0830   -1.1778    1.1218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9635    0.1361    1.9390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5979   -1.6070    1.3962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8192   -1.8261   -0.2531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9746   -0.8376   -0.4268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5927    0.5019    0.6794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0708    0.2150   -2.2137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8727    1.6564   -1.2025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7260    1.1558   -2.1145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9785   -0.6170   -1.8269 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