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
    3.2832    0.1794    0.2887 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8296    0.4351    0.1128 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0913    0.7264    1.0953 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1949    0.3731   -1.1173 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1738    0.6136   -1.2855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0270   -0.3229   -0.5112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5561   -1.2304    0.2145 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625   -0.1689   -0.6085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2512   -0.9801    0.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6704   -0.5585   -0.4540 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8350    1.1176    0.1127 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5316   -0.1873    1.2875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4974    1.6280   -1.0647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4053    0.4264   -2.3686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9024    0.5993   -1.2220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333   -1.7496    0.6780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3271   -0.9010    0.0195 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