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
    3.1949    0.3131   -0.9299 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7680    0.5611   -0.5957 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9657    1.1020   -1.3781 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3110    0.1759    0.6344 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0196    0.3246    1.1198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0198   -0.3469    0.3503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7143   -1.0007   -0.6714 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4196   -0.2909    0.7222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3769   -0.8943    0.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6241    1.0946   -1.5859 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3238   -0.6689   -1.4217 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7946    0.3109    0.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0227   -0.0623    2.1814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2795    1.4078    1.2401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7020    0.2723    1.6063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0984   -1.4506   -0.8377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4139   -0.8476    0.3186 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