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
   -3.5037    0.5681    0.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2883   -0.2905    0.2438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4369   -1.5235    0.3755 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0097    0.2139    0.2184 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1522   -0.5837    0.3329 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3737    0.2399    0.2712 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2428    1.4956    0.1303 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6905   -0.3817    0.3701 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7490    0.3990    0.3092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2584    1.3663   -0.6391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7577    1.0723    1.0737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3720   -0.0276   -0.2159 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1493   -1.2953   -0.5382 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1090   -1.2120    1.2516 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7591   -1.4499    0.4889 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6820    1.4611    0.1911 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7191   -0.0521    0.3813 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