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
    3.6735    1.5412   -0.5378 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4134    0.9194   -0.3738 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3201   -0.4360   -0.0882 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3670   -1.1159    0.0254 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0134   -1.1027    0.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0178   -2.3873    0.3545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2420   -0.3326   -0.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4265   -1.2256    0.0957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7513   -0.5728   -0.1802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5578    0.9262   -0.1728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7619    1.2441    1.0868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3356    0.7784    0.9667 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1269    1.7339    0.4550 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3689    0.9028   -1.0999 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5568    2.5216   -1.0443 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9693   -2.9002    0.4354 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0771   -2.9025    0.4918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2466    0.1293   -1.0615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4391   -1.7112    1.0969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3206   -2.0717   -0.6474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5184   -0.8421    0.5727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0949   -0.8932   -1.1809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9869    1.1863   -1.0815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5221    1.4480   -0.1911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7720    2.3254    1.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2753    0.7485    1.9503 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0780    0.4586    1.9434 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2690    1.6301    0.5932 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