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
    3.0504    1.2276    1.2671 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9297    0.6396    0.6508 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1010   -0.2018   -0.4431 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2776   -0.3986   -0.8347 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0017   -0.8442   -1.1312 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2465   -1.6262   -2.1568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.6551   -0.7205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6440   -1.1149    0.6865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8633   -0.5921    1.3356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4120    0.6816    0.8392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2153    0.9393   -0.6296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6988    0.8364   -0.8452 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4538    2.0826    0.6692 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8375    1.6141    2.2683 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8312    0.4292    1.3844 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2643   -1.7768   -2.4697 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4707   -2.1329   -2.7104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1213   -1.1654   -1.3709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7093   -2.2349    0.6659 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2740   -0.8906    1.2709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6461   -0.4644    2.4344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6911   -1.3611    1.3165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9555    1.5640    1.3794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5024    0.7568    1.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5598    1.9671   -0.8456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7048    0.1659   -1.2507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2053    1.3240    0.0129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3968    1.2309   -1.8159 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