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
   -2.7199    0.9483    0.1964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8373   -0.1837   -0.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3465   -1.2644   -0.4827 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4594   -0.1457    0.0318 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3560   -1.2428   -0.2529 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7816   -1.0848   -0.0846 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5525   -2.0885   -0.3430 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4481    0.1100    0.3537 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9367    1.2622    0.6811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2381    1.7457    0.7950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6244    0.5693    0.6973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0610    1.4035   -0.7695 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0192   -2.1334    0.3680 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1521   -1.5105   -1.3383 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5786    0.0897    0.4404 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5647    2.0761    0.9940 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8970    1.4488    0.6552 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