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
    3.2388   -1.0798   -0.6228 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0299   -0.4071   -0.2972 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9680    0.8712    0.1886 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0572    1.4865    0.3559 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7025    1.5447    0.5178 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7111    2.7717    0.9800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5809    0.8416    0.3290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7197   -0.3410    1.2673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1517   -0.8350    1.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1916   -1.4659   -0.3087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3342   -0.8860   -1.3492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7570    0.4562   -1.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2076   -2.1517   -0.4114 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3455   -0.9797   -1.7404 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1220   -0.6076   -0.1609 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6162    3.3472    1.1432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2245    3.2491    1.2157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3891    1.5420    0.6191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6969    0.0534    2.2937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0007   -1.1357    1.0664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3588   -1.5684    1.8239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333    0.0410    1.0651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2764   -1.4684   -0.6324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9757   -2.5668   -0.1597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5216   -1.6316   -1.6006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9216   -0.8312   -2.3149 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2594    0.4815   -1.5878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3245    1.2696   -1.6077 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