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
    3.0176   -0.3292    0.7528 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0552    0.3096   -0.1839 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4780    1.0399   -1.1173 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6886    0.1398   -0.0814 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2191    0.7527   -0.9787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6214    0.4089   -0.6481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5826    0.8530   -1.3255 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9365   -0.4593    0.4784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1746   -0.7809    0.7944 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7800    0.4335    1.0146 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5314   -1.1963    0.3293 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5322   -0.6218    1.7063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0403    1.8295   -1.0890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0069    0.3037   -1.9917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1300   -0.8500    1.0710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3682   -1.4237    1.6320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0034   -0.4095    0.2254 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