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
    2.6961    1.0399    0.3042 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5267    0.1720    0.6445 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9338    0.3309    1.7396 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0641   -0.8114   -0.2070 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0232   -1.6622    0.0313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3182   -1.0128    0.1827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3066   -1.7538    0.4645 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5672    0.4116    0.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7788    0.9328    0.1936 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3865    0.5215   -0.3997 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2778    1.1850    1.2417 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3705    2.0061   -0.1482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0982   -2.3205   -0.8857 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1931   -2.3996    0.8528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7688    1.1114   -0.2172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5911    0.2683    0.4375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9964    1.9810    0.0919 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