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
    0.9445    2.4000    0.4687 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0298    0.9400    0.2039 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4481    0.1063    1.0220 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6111    0.4442   -1.0602 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6700   -0.9091   -1.3585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1670   -1.8372   -0.6336 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1851   -3.0789   -0.6742 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3546   -1.5587    0.1333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9301   -0.3909    0.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1481    2.9648   -0.4823 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7047    2.7145    1.1877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0679    2.6558    0.8659 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3527   -0.9780   -2.4539 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7487   -1.2738   -1.4247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8683   -2.3834    0.6741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6176    0.5392   -0.1493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8373   -0.3548    0.9053 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