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
   -3.2512   -0.0528   -0.6389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8278    0.2152   -0.3242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2243    1.1076   -0.9720 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1097   -0.4620    0.6497 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2472   -0.1553    0.8964 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1003   -0.3774   -0.3065 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5392   -0.7988   -1.3397 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5156   -0.1204   -0.2916 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1298    0.3249    0.7878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8123   -0.4254    0.2563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7913    0.8652   -0.9583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3486   -0.7780   -1.4873 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5998   -0.9154    1.6514 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3968    0.8380    1.3486 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1121   -0.2881   -1.1726 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1805    0.5229    0.8220 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5441    0.4998    1.6856 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