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
    2.8987    0.8823    0.8871 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1199   -0.0907    0.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7289   -0.9835   -0.5458 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7408   -0.0604    0.0107 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0021   -0.9947   -0.7549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4556   -0.7384   -0.6669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2025   -1.5120   -1.3108 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0384    0.3324    0.1053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3378    0.4959    0.1342 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6748    0.4074    1.5113 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3992    1.6207    0.2289 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2117    1.4035    1.6145 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2793   -0.8773   -1.8252 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1962   -2.0427   -0.4486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3984    0.9913    0.6540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7809    1.3026    0.7157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0379   -0.1363   -0.3986 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