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
    3.8055   -1.2908   -0.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5410   -0.6702   -0.2722 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1212    0.3592    0.5570 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9148    0.7148    1.4645 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8212    1.0102    0.3970 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4833    1.9711    1.2066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0466    0.5398   -0.6861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2367   -0.9466   -0.4751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6168   -1.4112   -0.8576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7123   -0.7002   -0.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3848    0.7425    0.1804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3260    1.2867   -0.7421 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4951   -0.8177   -0.8238 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7565   -2.3922   -0.2359 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0998   -1.1091    0.9540 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1744    2.2921    2.0089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4405    2.5189    1.1872 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5319    0.6629   -1.6564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0338   -1.2250    0.5695 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4874   -1.4838   -1.1153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7646   -1.3143   -1.9580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6591   -2.5001   -0.6457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6638   -0.8134   -0.6676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8742   -1.2052    0.8697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3231    1.3270   -0.0238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1578    0.8814    1.2464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7437    1.2012   -1.8003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2485    2.3719   -0.5906 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