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
    3.4800   -1.2128   -1.5860 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3658   -0.6716   -0.8612 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9851    0.6436   -0.9551 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6150    1.4352   -1.6965 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8230    1.1525   -0.1825 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4846    2.4196   -0.2955 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1426    0.1494    0.6668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2182   -1.0259   -0.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5988   -1.5349   -0.0576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6715   -0.6113    0.3516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2586    0.8215    0.5850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9883    0.7549    1.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9784   -1.9282   -0.8996 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0419   -1.7741   -2.4259 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1588   -0.4037   -1.9061 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0514    3.0700   -0.9436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3372    2.8469    0.2276 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9137   -0.1319    1.4485 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4882   -1.8454    0.0682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0263   -0.8005   -1.2593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6113   -2.4156    0.6530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9133   -2.0066   -1.0378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1986   -0.9587    1.2893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5137   -0.5576   -0.4023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1248    1.3851   -0.3363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0339    1.2787    1.2332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7901    1.7611    1.7910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2440    0.1601    2.3390 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