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
   -2.9562   -1.2078    1.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8152   -0.4124    0.4931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4404    0.6030    1.1077 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1289   -0.7427   -0.6641 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0636    0.0277   -1.1228 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0629    0.1380   -0.1944 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0752   -0.4119    0.9223 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2247    0.9243   -0.5868 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2657    1.0590    0.2052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7964   -2.2957    0.8784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1746   -0.9357    2.0453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8376   -0.9452    0.3957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3469    1.0485   -1.4411 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3265   -0.4807   -2.0503 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2530    1.4175   -1.5480 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2431    0.5696    1.1648 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1089    1.6445   -0.1094 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