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
    2.1434   -0.2087    0.5244 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6569   -0.3446    0.4569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0471   -0.6563    1.4490 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0095   -0.1209   -0.7440 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3680   -0.2508   -0.7900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1640    0.7749   -0.5493 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5661   -0.5062   -0.4539 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5467   -0.7664    1.3773 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4343    0.8737    0.6523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8235   -1.2089   -1.0274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2376    0.6869   -0.5819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7167    1.7273   -0.3134 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