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
    3.5612    1.8957   -0.1406 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3268    1.1908    0.0245 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3357   -0.1768    0.0188 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4564   -0.7704   -0.1351 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1296   -0.9802    0.1797 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1835   -2.2885    0.1682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1586   -0.2687    0.3568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2984   -1.2222    0.6378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5106   -0.4225    1.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7250    0.7779    0.1581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9530    0.4819   -1.1234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4777    0.6101   -0.8045 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4512    2.9685   -0.0070 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2589    1.4197    0.6086 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9453    1.6024   -1.1448 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2916   -2.8630    0.2872 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1217   -2.7824    0.0394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0390    0.3421    1.2997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4997   -1.9135   -0.1819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0200   -1.8585    1.5273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4265   -1.0384    1.0041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3224   -0.0889    2.1152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2526    1.6495    0.6501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    0.9541   -0.0379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2810    1.2490   -1.8633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1790   -0.5237   -1.5144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2662    1.6640   -0.5122 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1437    0.3920   -1.6967 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