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
    3.9726   -0.6795   -0.9820 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6725   -0.5658   -0.4145 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0643    0.6785   -0.3959 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6795    1.6517   -0.8773 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7268    0.9203    0.1620 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2617    2.1444    0.1197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0525   -0.1942    0.7598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1855    0.2968    1.5300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5417    0.3141    0.9522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4769   -0.0112   -0.5173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7917   -1.3594   -0.6084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3229   -1.2450   -0.2674 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6225    0.1431   -0.5737 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4353   -1.6559   -0.7606 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8747   -0.4814   -2.0635 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8691    2.9558   -0.3235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6944    2.4941    0.4706 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6816   -0.6773    1.4833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2705   -0.3355    2.4912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9834    1.3103    1.9913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1777   -0.4749    1.4276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0055    1.3233    1.0959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8921    0.7224   -1.0820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4934   -0.1648   -0.9532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2684   -2.0364    0.1270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9244   -1.8075   -1.6055 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2030   -1.0132   -1.2140 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0172   -2.2527    0.0363 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