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
   -3.4117    0.5392    0.6078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2398   -0.3139    0.2798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3537   -1.5480    0.0818 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0018    0.2988    0.1974 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1121   -0.4996   -0.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3288    0.3459   -0.1507 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2430    1.5937    0.0802 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6057   -0.2748   -0.4542 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7099    0.4603   -0.4947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2890   -0.1123    0.6837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2064    0.9815    1.6179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5813    1.3298   -0.1521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0665   -0.9198   -1.1386 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2655   -1.3195    0.6188 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6237   -1.3401   -0.6428 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6327    1.5184   -0.2982 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6289   -0.0485   -0.7239 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