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
    4.3116    0.8569   -0.3364 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2020    0.0826    0.0540 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9916    0.2406   -0.5980 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9653    1.0903   -1.5220 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8415   -0.5695   -0.1851 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0256   -1.4191    0.7936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4794   -0.4679   -0.8359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9989    0.9601   -0.8437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5852    1.3487    0.4898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7656    0.4520    0.7398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2483   -0.9577    0.8910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4711   -1.4257   -0.2901 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0810    1.5489   -1.1765 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1869    0.2246   -0.6201 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6198    1.4735    0.5356 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3299   -2.0918    1.2389 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0361   -1.4768    1.2512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3040   -0.7161   -1.9053 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2149    1.6557   -1.1140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8123    1.0579   -1.5928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8812    1.2387    1.3252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9752    2.3807    0.3809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4898    0.4437   -0.0964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2432    0.7369    1.6925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6836   -0.9916    1.8423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1369   -1.6075    1.0372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0444   -2.4046   -0.0710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2574   -1.6635   -1.0846 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