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
   -3.0661    0.6764   -0.3808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0343   -0.3743   -0.1539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4184   -1.5698    0.0817 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6839   -0.1293   -0.1839 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2266   -1.1812    0.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6305   -0.7231   -0.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5359   -1.5750    0.1541 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9423    0.6725   -0.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1863    1.1117   -0.3784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2860    1.2489    0.5569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7011    1.3647   -1.1568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0212    0.1794   -0.6614 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0959   -2.0024   -0.7043 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0594   -1.5991    1.0606 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387    1.3837   -0.4628 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9756    0.3908   -0.2216 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4198    2.1260   -0.5796 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