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
    3.4614   -0.0495    0.0839 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0264    0.3505    0.2110 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7310    1.4479    0.7518 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9867   -0.4398   -0.2446 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3417    0.0195   -0.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3425   -0.9157   -0.6088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0516   -2.0112   -1.1491 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7400   -0.5637   -0.5038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1364    0.5656    0.0481 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9479   -0.1508    1.0838 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5777   -1.0043   -0.4378 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9574    0.7386   -0.4912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5007    0.1227    1.0282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5019    0.9986   -0.5888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4920   -1.2298   -0.8814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4151    1.2848    0.4508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1667    0.8366    0.1312 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