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
    4.5297    0.5884    0.7955 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4733    0.0215    0.0343 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1493    0.0676    0.4345 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9067    0.6437    1.5239 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0564   -0.5004   -0.3197 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2717   -1.1060   -1.4554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3284   -0.4102    0.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7674    1.0241    0.3478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1377    1.3550   -0.0613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1663    0.2858    0.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6172   -1.1110    0.0668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3155   -1.0905   -0.7356 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4010   -0.1078    0.6820 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    0.5594    1.8758 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8292    1.5756    0.4408 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3215   -1.1603   -1.8034 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5219   -1.5590   -2.0975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4100   -0.8818    1.2156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5357    1.3232    1.3915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0221    1.6280   -0.2581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1133    1.7774   -1.1104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4989    2.2190    0.5595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8417    0.3543   -0.8356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8165    0.4015    0.9375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3082   -1.8585   -0.3528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3458   -1.4472    1.0883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0020   -2.1306   -0.9707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5060   -0.4611   -1.6259 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