Monomers

Vinyl acetate

Identifiers

IUPAC name
ethenyl acetate
InchI
InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3
InchI Key
XTXRWKRVRITETP-UHFFFAOYSA-N
SMILES
CC(=O)OC=C
Canonical SMILES
CC(=O)OC=C
Isomeric SMILES
CC(=O)OC=C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H6O2
Heavy Atom Count
6
Molecular Weight
86.09
Exact Molecular Weight
86.0368
Valence Electrons
34
Radical Electrons
0
tPSA
26.3
MolLogP
0.693
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 12 11  0  0  0  0  0  0  0  0999 V2000
    1.9242   -0.9392   -0.7533 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5834   -0.8138   -0.0785 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0101   -1.8066    0.4375 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0706    0.4053   -0.0010 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3038    0.4687    0.6311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8869    1.6500    0.6797 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5855   -0.0805   -0.4344 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8446   -0.8602   -1.8448 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719   -1.8665   -0.3827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7553   -0.4199    1.0606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8431    1.7222    1.1648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4600    2.5404    0.2626 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  3
  1  7  1  0
  1  8  1  0
  1  9  1  0
  5 10  1  0
  6 11  1  0
  6 12  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers