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
    2.2170    0.1294   -0.6252 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9136   -0.5589   -0.4351 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7815   -1.8087   -0.4359 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1969    0.2362   -0.2497 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4725   -0.2368   -0.0602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4633    0.5968    0.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6244    0.3931    0.3914 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9422   -0.4563   -1.1939 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0440    1.1043   -1.1253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6448   -1.2931   -0.0513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2699    1.6584    0.0953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4753    0.2355    0.2578 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