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
    3.7084    0.8989    1.2508 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4166    0.5100    0.8446 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2265   -0.8111    0.4132 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2197   -1.6200    0.3998 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9078   -1.2431   -0.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7638   -2.4947   -0.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -0.3116    0.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4842   -0.8689   -0.5864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3489    0.3487   -0.9129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6393    1.1706    0.3055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4114    1.4831    1.1215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5587    0.2556    1.3530 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4954    0.2078    0.8630 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7964    0.9142    2.3562 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9951    1.9076    0.8580 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6007   -3.1980   -0.4361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1780   -2.9159   -0.7528 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0448    0.5763   -0.6456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0573   -1.4356    0.1720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3200   -1.4199   -1.5290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7251    0.9842   -1.5936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3039    0.0566   -1.3703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0295    2.1595   -0.0608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4493    0.7082    0.8834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7751    1.8238    2.1261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8384    2.2989    0.6775 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3451    0.5148    1.8885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1928   -0.5002    1.8716 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