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
    2.8133   -0.6429    0.8783 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8761   -0.7810   -0.2676 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2825   -1.3616   -1.3040 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6020   -0.3022   -0.2301 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3369   -0.4011   -1.2836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5738    0.2415   -0.8221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5519    0.2743   -1.5944 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6610    0.8208    0.4884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7673    1.4111    0.9381 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9129   -1.6747    1.3144 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3842   -0.0225    1.6894 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7971   -0.2355    0.5701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5758   -1.4600   -1.5262 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0613    0.0466   -2.2200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8010    0.7797    1.1384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6538    1.4754    0.3207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8079    1.8321    1.9103 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