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
   -3.1755   -0.3999    0.5416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7910    0.1297    0.4544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1152    0.3096    1.4981 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2257    0.4315   -0.7627 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0931    0.9306   -0.8078 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0304   -0.0793   -0.2291 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5754   -1.1863    0.1848 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4490    0.1861   -0.1334 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2489   -0.7123    0.3763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6024   -0.3171    1.5498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8211    0.2197   -0.1375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2035   -1.4232    0.1213 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3472    1.1031   -1.8676 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1919    1.9013   -0.2828 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8416    1.1227   -0.4824 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8380   -1.6469    0.7216 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3191   -0.5693    0.4733 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