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
    3.9271    1.4000    0.5077 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6478    0.7958    0.5311 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2672   -0.0825   -0.4618 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0800   -0.3226   -1.3695 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9734   -0.7581   -0.5305 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7589   -1.5678   -1.5405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0756   -0.5630    0.4818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2731   -1.4120    0.4075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4169   -0.8153   -0.3856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8726    0.5139    0.1413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9013    0.9769    1.1947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5154    0.8915    0.5609 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8110    2.4316    0.1160 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3518    1.5072    1.5302 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6467    0.8589   -0.1288 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5207   -1.7338   -2.3065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1531   -2.0890   -1.6564 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4475   -0.7544    1.4694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0914   -2.4269    0.0303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6435   -1.5568    1.4642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2420   -1.5496   -0.3593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0615   -0.7139   -1.4291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8890    0.5233    0.5417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8245    1.2728   -0.6847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0630    2.0578    1.4217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9949    0.3502    2.0927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6307    1.2384   -0.4878 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2165    1.5273    1.0738 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