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
    3.7721    1.3065    0.1581 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4900    0.7527   -0.1234 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2646   -0.6172   -0.1047 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2506   -1.3467    0.1737 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9301   -1.1848   -0.3982 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8178   -2.4952   -0.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1899   -0.2684   -0.7171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3150    0.7096    0.4251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7456    1.1503    0.6333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5370    1.1622   -0.6453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6399   -0.2195   -1.2464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4209   -1.0589   -0.9649 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8822    2.1697   -0.5391 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5458    0.5274   -0.0678 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8410    1.6563    1.2011 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6691   -3.1137   -0.1153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1090   -3.0311   -0.5532 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0967    0.2637   -1.6554 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2584    1.6184    0.1404 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1048    0.3408    1.3668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7899    2.1652    1.0754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2277    0.4242    1.3161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5691    1.4775   -0.3857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1589    1.9048   -1.3774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5274   -0.7348   -0.8245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8235   -0.0858   -2.3438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6109   -1.7576   -0.0973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2584   -1.7156   -1.8411 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