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
    2.6018   -0.3540    1.9251 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4761    0.1304    1.0559 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4287    0.6018    1.5636 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5442    0.0785   -0.3262 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4582    0.5467   -1.0845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8012   -0.1788   -0.8156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8319   -1.1235    0.0267 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9931    0.2227   -1.5423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1384   -0.3889   -1.3414 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3451   -0.8383    1.2659 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0300    0.5386    2.4634 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1487   -1.0604    2.6602 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6665    0.4365   -2.1803 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2402    1.6312   -0.9038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9247    1.0291   -2.2483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0077   -0.0751   -1.8902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2425   -1.1964   -0.6454 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