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
    4.4154   -0.2674   -1.4577 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3735   -0.4899   -0.5232 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1093    0.0933   -0.6684 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9501    0.8204   -1.6666 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0526   -0.1627    0.3247 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3312   -0.9478    1.3501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2857    0.4456    0.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1529    0.1333    1.3680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5773    0.6088    1.1721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0936   -0.0329   -0.0994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3058    0.4205   -1.2949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8758   -0.0321   -1.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3750   -0.4610   -0.8943 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4472    0.7576   -1.8392 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4078   -1.0309   -2.2683 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3531   -1.3595    1.3841 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6419   -1.2053    2.1423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1471    1.5414    0.1132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6849    0.5638    2.2678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2149   -0.9719    1.4824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1912    0.2087    2.0049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6357    1.7028    1.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1684    0.1748   -0.1850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8975   -1.1343    0.0111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7039   -0.1408   -2.1782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3827    1.5072   -1.4775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8561   -1.1383   -1.1509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2836    0.3967   -1.9440 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