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
    4.3466    0.8305    0.5892 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1761    0.0501    0.7700 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0656    0.1746   -0.0878 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2048    1.0193   -1.0042 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8655   -0.6357    0.1097 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469   -1.4871    1.0957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2480   -0.4476   -0.8515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6286    1.0003   -0.8109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9254    1.3475   -0.1868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9929    0.3104   -0.1944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3482   -0.9407    0.4294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3794   -1.3884   -0.6072 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3276    1.2105   -0.4623 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2029    0.1545    0.6652 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3932    1.6901    1.2855 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6984   -1.5828    1.7402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0109   -2.0939    1.2785 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1650   -0.6814   -1.8551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6079    1.4341   -1.8362 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1435    1.6101   -0.2508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7916    1.6560    0.8935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3831    2.2708   -0.6532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3049    0.0940   -1.2331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8268    0.6654    0.4248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0969   -1.7361    0.5785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8994   -0.6228    1.3846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9965   -1.5084   -1.5538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9953   -2.3933   -0.4048 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