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
    3.4746    0.5731    0.4750 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2700   -0.2224    0.0478 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3965   -1.3653   -0.4613 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9820    0.2649    0.1952 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1018   -0.5363   -0.2278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3518    0.2041    0.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3068    1.3498    0.5561 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6440   -0.3582   -0.2907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7616    0.2838   -0.0637 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2645    1.6531    0.2950 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6937    0.4363    1.5377 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2974    0.2647   -0.1955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0292   -0.7890   -1.3182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1156   -1.5285    0.3061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6633   -1.3401   -0.7353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7044    1.2657    0.3830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7004   -0.1558   -0.3152 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