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
   -2.8214    1.2248   -0.4011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0631   -0.0234   -0.1457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6629   -1.1271    0.0869 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6737   -0.0862   -0.1401 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0243   -1.2912    0.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4759   -1.0252    0.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2719   -1.9722    0.2362 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9764    0.3062   -0.2357 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2695    0.5903   -0.3015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8582    1.5116   -1.4538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8709    1.0427   -0.0251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4524    2.0795    0.2206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2921   -2.1016   -0.5847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1865   -1.6327    1.1603 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2595    1.1244   -0.4019 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6100    1.5735   -0.5077 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9938   -0.1934   -0.1426 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