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
    3.3785    0.5026    0.3123 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0115    0.3579    0.8476 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7084    0.4243    2.0655 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9725    0.1332   -0.0250 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3589   -0.0236    0.3194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1348   -0.2450   -0.9316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5216   -0.2575   -2.0343 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5889   -0.4467   -0.8964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2522   -0.4376    0.2469 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5053    1.5695    0.0289 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5226   -0.0890   -0.6145 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1548    0.1522    1.0258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4748   -0.9814    0.9058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7822    0.8078    0.9161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0842   -0.6007   -1.8366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7348   -0.2809    1.1826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3212   -0.5851    0.2820 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