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
    3.4165    0.1074    0.5934 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1001   -0.4081    0.0918 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0363   -1.4698   -0.6042 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9113    0.2204    0.3474 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3524   -0.1972   -0.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3467    0.7846    0.4252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9801    1.7910    1.1236 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7663    0.6313    0.1451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1506   -0.3992   -0.5713 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8386    0.8714   -0.0872 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2790    0.4949    1.6267 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1508   -0.7285    0.6866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6126   -1.2269    0.2816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3986   -0.1975   -1.2107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4861    1.3682    0.5307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4475   -1.1015   -0.9366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1916   -0.5403   -0.7953 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