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
   -3.5522   -0.2146    0.3495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2242    0.4499    0.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1775    1.6611   -0.2136 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0387   -0.2445    0.2888 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1676    0.4250    0.0682 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3543   -0.4361    0.2767 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2494   -1.6514    0.6200 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    0.1419    0.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7269   -0.6279    0.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8515   -0.0989    1.4119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3113    0.3619   -0.2368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5626   -1.2538   -0.0048 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2419    1.2819    0.7746 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2199    0.8530   -0.9519 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7467    1.1761   -0.2131 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7030   -0.1577    0.1067 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6409   -1.6659    0.5584 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