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
    4.3790    0.5400    1.2712 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4186    0.2033    0.2825 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0646    0.1561    0.5338 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6592    0.4208    1.6824 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0599   -0.1917   -0.4833 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4948   -0.4723   -1.6912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3697   -0.2335   -0.2011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9482    1.0284    0.3898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2159    0.6190    1.1032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8098   -0.5867    0.4135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6249   -0.5994   -1.0672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1504   -0.6085   -1.4114 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8990    0.9531    2.1843 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9190   -0.3947    1.5287 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1299    1.2540    0.8968 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5534   -0.4488   -1.9319 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8054   -0.7355   -2.4647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -1.0563    0.5618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2612    1.5605    1.0703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2844    1.7029   -0.4528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9389    1.4507    1.1972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9421    0.2769    2.1393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9310   -0.6180    0.5781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4341   -1.5405    0.8475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0759    0.3048   -1.5472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0817   -1.5105   -1.4676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9491    0.1487   -2.2297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8573   -1.6228   -1.7322 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