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
    4.4087    1.2514   -0.6010 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4056    0.2683   -0.4640 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1201    0.5626   -0.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    1.7890    0.2448 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0860   -0.4415    0.1172 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3344   -1.6988   -0.1707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2697   -0.0836    0.5875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9034    0.9914   -0.2647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1397    0.4183   -0.9230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1420    0.0294    0.1478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4976   -0.8263    1.2069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1571   -1.2942    0.6504 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3293    0.7131   -0.9329 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1326    2.0730   -1.2731 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6322    1.6155    0.4436 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5891   -2.4868   -0.0787 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3275   -1.9533   -0.5140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1535    0.2939    1.6304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    1.3870   -1.0240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2459    1.8196    0.3844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6455    1.2351   -1.5166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9306   -0.3808   -1.6367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5105    1.0003    0.5786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9855   -0.4965   -0.3201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1215   -1.7093    1.4707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3215   -0.2753    2.1558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7337   -2.0043    1.3920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3118   -1.7972   -0.3063 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