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
   -3.5428    0.2347    0.2873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2356    0.0584   -0.4116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2101   -0.1363   -1.6633 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0412    0.1009    0.2674 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1613   -0.0714   -0.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3537   -0.0048    0.3939 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2575    0.1900    1.6226 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6767   -0.1635   -0.1859 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7796   -0.1121    0.5199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7717    1.2976    0.4664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5909   -0.3847    1.2049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3434   -0.1567   -0.3861 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1639    0.7070   -1.2586 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0660   -1.0437   -0.9952 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7798   -0.3357   -1.2667 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7525    0.0540    1.5859 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7446   -0.2337    0.0591 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