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
    2.7623    0.7319    0.5673 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5567    0.0565    0.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0937    0.4516   -1.0678 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9220   -0.9890    0.6746 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2076   -1.6605    0.2306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4305   -0.8721    0.0917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4510   -1.4296   -0.3800 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5452    0.5162    0.4651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6652    1.1900    0.3177 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6389    0.4593   -0.0822 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    1.8288    0.5263 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9741    0.4063    1.6048 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0738   -2.1413   -0.7503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3668   -2.5451    0.9080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6875    1.0112    0.8841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7127    2.2278    0.6086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5675    0.7578   -0.0880 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