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
    3.3857   -0.0528    0.7918 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9784   -0.5068    0.6949 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7367   -1.7158    0.9428 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0080    0.4160    0.3389 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3239   -0.0567    0.2572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2663    1.0142   -0.1292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8140    2.1597   -0.3317 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6813    0.7286   -0.2669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1832   -0.4867   -0.0553 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4071    0.8959    1.3543 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0296   -0.8018    1.2532 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7670    0.1624   -0.2292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3400   -0.9142   -0.4472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5720   -0.4229    1.2969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3421    1.5371   -0.5513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2363   -0.6405   -0.1715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5534   -1.3155    0.2294 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