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
    3.5289   -0.0538   -0.3853 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1940   -0.5842   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1697   -1.7708    0.4285 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0337    0.1432   -0.0913 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1793   -0.4667    0.3044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3335    0.4675    0.1383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1664    1.6393   -0.3060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6806    0.0731    0.4765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6656    0.9205    0.3167 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7796   -0.4167   -1.3957 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3384   -0.4449    0.2875 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5193    1.0391   -0.4112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1335   -0.8987    1.3156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3600   -1.3016   -0.4172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8637   -0.9118    0.8562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5140    1.9228   -0.0646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6669    0.6437    0.5623 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