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
   -2.2437    1.0256    1.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3023   -0.0315    0.6686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7723   -0.7387    1.5370 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -0.3076   -0.6715 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0418   -1.3284   -0.9770 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3318   -1.1823   -0.5258 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0122   -2.2902   -0.5463 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0571   -0.0352   -0.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6433    1.2074    0.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8573    1.5217    1.9784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3196    1.8385    0.2873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2482    0.6230    1.3314 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0060   -1.3614   -2.1151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4430   -2.3393   -0.7087 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1103   -0.1816    0.2664 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6740    1.5887   -0.2510 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3393    1.9912    0.3982 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