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
    2.1817    0.2888    0.2135 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7694   -0.1280    0.3739 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3864   -0.4533    1.5253 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1377   -0.1770   -0.6649 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4282   -0.5838   -0.3831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3518    0.2914   -0.0398 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4280    0.1869   -0.8611 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8799   -0.4182    0.7441 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3921    1.2866    0.6010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6484   -1.6335   -0.4540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1028    1.3329    0.0228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3686    0.0071    0.1867 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