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
   -3.5258    0.5439   -0.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2350    0.2520   -0.7081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2556    0.0450   -1.9561 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0253    0.1902   -0.0753 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1555   -0.0960   -0.8005 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3495   -0.1149    0.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1797    0.1137    1.2931 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6549   -0.3926   -0.4974 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7245   -0.4124    0.2694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7506    1.6152   -0.1889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5309    0.2365    1.0223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2992   -0.0731   -0.5462 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0918   -1.1151   -1.2746 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3208    0.6329   -1.6317 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7975   -0.5911   -1.5597 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6308   -0.2213    1.3277 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7175   -0.6130   -0.1028 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