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
    4.5538   -0.2523   -0.8075 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4914    0.0947    0.0612 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1732    0.0638   -0.3728 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9851   -0.2853   -1.5640 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0516    0.4106    0.4805 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2832    0.7736    1.7259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3395    0.3739   -0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3620    0.7512    1.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6606    0.9250    0.2849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1089   -0.2417   -0.4890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0592   -1.1243   -1.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7120   -1.0202   -0.4419 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2013   -0.3785   -1.8683 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3497    0.5167   -0.7751 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0117   -1.2344   -0.5433 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3040    0.8051    2.0842 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4878    1.0448    2.4210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4810    1.0216   -0.9131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4969   -0.0445    1.7848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1547    1.7493    1.4892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4322    1.2238    1.0467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5202    1.8341   -0.3546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7379    0.1354   -1.3485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8238   -0.8355    0.1319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3915   -2.1975   -0.9627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9421   -0.9687   -2.1580 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0499   -1.4966   -1.0870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7204   -1.6439    0.5003 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