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
    3.3022    0.3114   -0.0574 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542    0.0996   -0.3754 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2690    0.9624   -1.0632 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1506   -0.9919    0.0529 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2022   -1.1927   -0.2425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0656   -0.1013    0.2763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4907    0.8317    0.8937 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5100   -0.1012    0.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2307    0.8865    0.5629 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7201    1.1108   -0.6808 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3530    0.5356    1.0221 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8441   -0.6212   -0.3277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3760   -1.3076   -1.3330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5402   -2.1620    0.2112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9951   -0.9066   -0.4460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7776    1.7103    1.1008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3051    0.9361    0.4495 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