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
    3.4353   -0.1315   -0.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0092   -0.5468   -0.1061 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6859   -1.7517   -0.2494 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9776    0.3657    0.0192 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3563   -0.0997   -0.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2404    1.0605    0.1333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7612    2.1961    0.2660 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6744    0.8658    0.1283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1787   -0.3456   -0.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8375   -0.1572    0.9642 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0219   -0.8216   -0.7049 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5131    0.9186   -0.4088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5454   -0.8397    0.8185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5700   -0.6451   -0.9728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3871    1.6740    0.2366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2380   -0.5302   -0.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5290   -1.2118   -0.1278 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