Monomers

Acetoxymethyl vinyl ketone

Identifiers

IUPAC name
2-oxobut-3-enyl acetate
InchI
InChI=1S/C6H8O3/c1-3-6(8)4-9-5(2)7/h3H,1,4H2,2H3
InchI Key
GZNCCNHJQSRXNU-UHFFFAOYSA-N
SMILES
CC(=O)OCC(=O)C=C
Canonical SMILES
CC(=O)OCC(=O)C=C
Isomeric SMILES
CC(=O)OCC(=O)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H8O3
Heavy Atom Count
9
Molecular Weight
128.127
Exact Molecular Weight
128.0473
Valence Electrons
50
Radical Electrons
0
tPSA
43.37
MolLogP
0.3046
H Bond Acceptors
3
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

 17 16  0  0  0  0  0  0  0  0999 V2000
    3.4645    0.5881    0.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9996    0.7571    0.3777 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6480    1.6331    1.2008 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0394    0.0289   -0.2582 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3237    0.2783    0.0248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2283   -0.5928   -0.7451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7396   -1.4273   -1.5351 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6727   -0.5184   -0.6206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2783    0.3321    0.1885 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9493    1.5811    0.2631 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6950    0.1456   -0.8238 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8599   -0.0347    1.0058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5467    0.1440    1.1181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4952    1.3557   -0.1820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2747   -1.1913   -1.2192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3522    0.3287    0.2268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7444    1.0306    0.8133 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  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  3
  1 10  1  0
  1 11  1  0
  1 12  1  0
  5 13  1  0
  5 14  1  0
  8 15  1  0
  9 16  1  0
  9 17  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers