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
   -2.7275   -1.5025    0.6707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4921   -0.9307    0.0707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4423   -1.6157    0.1741 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4392    0.2731   -0.5728 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2319    0.7549   -1.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7864    0.9092   -0.0672 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5343    0.6281    1.1434 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1259    1.3882   -0.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0591    1.5381    0.5574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6257   -0.9239    0.3192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7369   -1.4257    1.7787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8480   -2.5788    0.4363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3546    1.7453   -1.6050 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1053    0.0676   -1.9353 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3617    1.6351   -1.3904 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0424    1.8982    0.2947 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8831    1.3093    1.5991 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