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
    4.3087    1.0014   -0.2729 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3957    0.1367    0.3738 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0363    0.2728    0.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6194    1.1556   -0.6259 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0491   -0.5957    0.7904 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5045   -1.5227    1.6033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3917   -0.4767    0.5709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9476    0.8750    0.9462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4281    0.7926    0.9703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0719    0.0998   -0.1608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2821   -0.9168   -0.8781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7915   -0.6693   -0.8847 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0375    1.4148    0.4667 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9241    0.3938   -0.9838 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8130    1.8298   -0.7913 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5565   -1.6695    1.8136 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8329   -2.1833    2.0996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9461   -1.2314    1.1546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6519    1.5763    0.1189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5883    1.2092    1.9305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7368    0.3639    1.9638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8225    1.8514    0.9982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4646    0.8383   -0.9173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0095   -0.3994    0.2274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4194   -1.9617   -0.4812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5885   -0.9569   -1.9656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6412    0.2871   -1.4635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -1.5152   -1.3585 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