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
    2.2414   -0.0994    0.1123 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7507   -0.2990    0.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2686   -1.4443   -0.1267 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0715    0.7937    0.0707 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4303    0.8164   -0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2640   -0.1777   -0.1444 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7176   -1.0114   -0.2932 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5008    0.0107    1.1760 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4666    0.7988   -0.4591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8675    1.8318    0.0716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9620   -1.1967   -0.2261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3505   -0.0228   -0.1895 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