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
    2.4585    1.3072   -0.1746 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3903    0.6624   -1.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4944    0.6098   -2.2584 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2744    0.1159   -0.4101 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7740   -0.5045   -1.0836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8170   -0.9886   -0.2176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8052   -1.5702   -0.8164 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8985   -0.9100    1.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9796   -0.3530    1.9392 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4312    0.9882   -0.6281 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2954    2.3924   -0.2320 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4578    0.9129    0.8589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1773    0.2350   -1.8680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3187   -1.3062   -1.7323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7881   -1.3400    1.7356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0638    0.1141    1.6640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1799   -0.3653    3.0369 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