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
    3.0110    0.7557   -0.1876 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0394   -0.1505    0.4558 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5103   -1.0483    1.2142 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6816   -0.0859    0.2895 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2146   -0.9976    0.9438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6114   -0.7160    0.6005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5300   -1.4068    1.0761 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9570    0.3715   -0.2991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2228    0.6386   -0.6197 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5664    1.6713   -0.6002 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5866    0.2737   -1.0027 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7456    1.1032    0.5967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0569   -0.8454    2.0422 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1148   -2.0301    0.6708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1732    0.9806   -0.7206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4610    1.4427   -1.2835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0288    0.0432   -0.2111 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