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
    3.2844   -0.3275    0.3625 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8178   -0.5068    0.3533 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1755   -1.2196    1.1657 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0843    0.1562   -0.6202 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3022    0.0742   -0.7415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0184    0.5478    0.4645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3743    0.9625    1.4466 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4579    0.5327    0.5106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1297    0.0943   -0.5282 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6142   -0.1923   -0.7015 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8169   -1.1690    0.8496 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5214    0.6443    0.8605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5895    0.6666   -1.6530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6303   -0.9755   -0.9858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9648    0.8787    1.3906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6234   -0.2523   -1.4096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2239    0.0858   -0.4857 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