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
    3.9160    1.0978   -0.2767 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5916    0.8182    0.1105 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1660   -0.5168    0.1434 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9423   -1.4541   -0.1644 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7946   -0.8549    0.5417 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4633   -2.1316    0.5565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1785    0.2060    0.9281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3915   -0.3081    1.5549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5847   -0.5198    0.6848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7062    0.5148   -0.4178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4166    0.4269   -1.2046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3740    1.0787   -0.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4057    0.1823   -0.6754 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9621    1.9365   -1.0248 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4908    1.4050    0.6380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4992   -2.5294    0.8246 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2063   -2.8824    0.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3991    0.8512    1.6615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2010   -1.2174    2.1444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7245    0.4443    2.3382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5347   -0.4813    1.2570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5688   -1.5079    0.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5996    0.3057   -1.0092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7706    1.5077    0.1123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0806   -0.6310   -1.3066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4640    0.9483   -2.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5490    1.2480   -0.8632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7924    2.0631    0.0154 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