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
   -3.4347    0.3265    0.0524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0747   -0.1928   -0.2863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9733   -1.2675   -0.9353 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9357    0.5040    0.1113 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3115   -0.0599   -0.2522 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4535    0.7394    0.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2554    1.7938    0.8457 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8112    0.3318   -0.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1161   -0.7641   -0.7302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9058    0.7762   -0.8430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3204    1.1505    0.7872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0829   -0.4846    0.4439 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3852   -0.1987   -1.3706 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3323   -1.1072    0.1501 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6169    0.9467    0.2902 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3269   -1.4196   -1.1096 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1186   -1.0745   -0.9363 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