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
    3.4054    0.5703   -0.5075 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2611   -0.2822   -0.1108 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4717   -1.4418    0.3015 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9859    0.2462   -0.2137 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1151   -0.5589    0.1624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3484    0.2409   -0.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2956    1.4339   -0.4869 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6337   -0.3523    0.2676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7365    0.3408    0.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1226    0.6388    0.3576 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1102    1.5821   -0.7919 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8912    0.0639   -1.3841 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0374   -0.8348    1.2318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1335   -1.5029   -0.4334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6568   -1.3799    0.6479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6863    1.3379   -0.2794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6796   -0.1023    0.3227 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