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
    4.2846    0.1094    1.1722 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3446   -0.2494    0.1649 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9908   -0.0658    0.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5226    0.4347    1.3620 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0242   -0.4418   -0.7389 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4877   -0.9696   -1.8511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4195   -0.2457   -0.5803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7938    1.2094   -0.3864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2602    1.3271   -0.7527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0425    0.2279   -0.1251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3304   -0.4907    0.9801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9838   -1.0037    0.6020 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5592    1.1757    1.0994 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9436   -0.1778    2.1860 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2268   -0.4747    0.9999 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5414   -1.1446   -2.0400 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7892   -1.2458   -2.6217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9432   -0.5889   -1.4927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7316    1.4196    0.7103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1709    1.9021   -0.9528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6637    2.3506   -0.5259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3030    1.1680   -1.8702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3884   -0.5530   -0.8533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9927    0.6376    0.3192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9655   -1.3895    1.2352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3437    0.1370    1.8917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0478   -2.0796    0.2670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3342   -0.9785    1.4881 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