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
   -3.3757    0.7291    0.1006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0023    0.2695    0.4358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375   -0.2152    1.5807 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9495    0.3383   -0.4554 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3421   -0.1112   -0.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2948    0.0581   -1.1916 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9519    0.5487   -2.3000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6856   -0.3352   -1.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0780   -0.8508    0.0946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3853    1.8188   -0.1565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0074    0.6174    1.0051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7975    0.2056   -0.7678 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6878    0.4728    0.7964 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3269   -1.1738    0.2345 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4202   -0.2273   -1.8343 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3753   -0.9746    0.9021 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0926   -1.1703    0.2876 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