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
    3.3634    0.2061    1.0502 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2868   -0.4167    0.2511 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4466   -1.3429   -0.5816 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9937    0.0513    0.4270 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1079   -0.4726   -0.2849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3076    0.2532    0.1507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2296    1.1476    1.0017 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5873   -0.0886   -0.4271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6634    0.5495   -0.0486 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3598   -0.2141    0.8258 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0967    0.1766    2.1164 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4167    1.2833    0.7154 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0651   -0.3138   -1.3912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2402   -1.5612   -0.0984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6884   -0.8776   -1.1843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5923    1.3237    0.6888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6119    0.2960   -0.4769 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