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
    4.4263    0.5321    0.8923 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3045   -0.1685    0.3888 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0111    0.0788    0.7767 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8047    0.9825    1.6319 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8536   -0.6710    0.2324 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1183   -1.5906   -0.6447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144   -0.3615    0.6878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8191    1.0797    0.3492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2732    1.2967    0.0211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7734    0.5188   -1.1493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8350   -0.6780   -1.3576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5471   -1.2295    0.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2036   -0.2376    1.1194 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1719    1.1081    1.8083 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8697    1.1907    0.1121 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3495   -2.1781   -1.0885 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1307   -1.7831   -0.9473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5938   -0.4634    1.8115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5878    1.7046    1.2343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1767    1.4179   -0.4669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3889    2.3898   -0.1837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9053    1.1007    0.9163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7657    0.0657   -0.8921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8806    1.1060   -2.0740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4255   -1.4357   -1.9071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9286   -0.3667   -1.9105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2927   -2.2960   -0.0457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5359   -1.1122    0.5810 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