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
    3.5930   -1.0757    1.5314 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4510   -0.5458    0.8947 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1581   -0.7418   -0.4420 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9589   -1.4305   -1.1165 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9358   -0.1573   -1.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7453   -0.3986   -2.3338 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0494    0.6509   -0.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0099    1.2934   -1.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3150    0.5016   -0.9662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8107    0.6670    0.4515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8435    0.0548    1.3891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4721   -0.2211    0.9132 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2904   -1.7807    2.3577 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0703   -0.2124    2.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2904   -1.5542    0.8242 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4518   -0.9943   -2.8903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1009   -0.0371   -2.8809 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6788    1.4568    0.2964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7699    1.5806   -2.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2993    2.2775   -0.5055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0763   -0.5487   -1.1960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9885    0.9694   -1.7015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8080    0.1865    0.5392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9200    1.7784    0.5886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2815   -0.9421    1.7134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8667    0.6418    2.3537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3320   -1.3026    0.6062 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2210   -0.1159    1.7829 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