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
    4.5333   -0.9005   -0.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4762    0.0232    0.0490 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1617   -0.3721   -0.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9836   -1.5704   -0.4363 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0425    0.5801    0.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3172    1.8069    0.4085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3373    0.1675   -0.1100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7723   -0.9004    0.8746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1587   -1.3407    0.6182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1424   -0.2507    0.3389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6182    0.8813   -0.4507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2682    1.3326    0.0903 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9340   -0.6891   -1.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2067   -1.9401   -0.0199 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3659   -0.6296    0.5456 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3857    2.0655    0.5257 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5915    2.5626    0.5808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4809   -0.1862   -1.1535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6628   -0.4606    1.8858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1044   -1.7699    0.7831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1789   -2.1112   -0.1855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5270   -1.8791    1.5361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9904   -0.7153   -0.2442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6162    0.1191    1.2733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4562    0.6529   -1.5241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3480    1.7362   -0.3552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9228    2.1837   -0.5514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4138    1.6045    1.1431 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