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
    3.2961    0.2454   -0.4829 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8302    0.3786   -0.3814 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1313    0.9910   -1.2537 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0883   -0.1540    0.6767 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3063   -0.0195    0.7602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0249   -0.6188   -0.3856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4319   -1.1914   -1.3371 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4705   -0.5326   -0.3945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1028    0.0580    0.5845 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6041    0.7371   -1.4290 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6284   -0.8112   -0.5621 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7907    0.7486    0.3551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6472    1.0346    0.8386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6384   -0.5323    1.6872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0238   -0.9622   -1.2201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1871    0.1534    0.6325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5360    0.4753    1.3898 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