Strategies to access the [5-8] bicyclic core encountered in the sesquiterpene, diterpene and sesterterpene series

Cécile Alleman, Charlène Gadais, Laurent Legentil and François-Hugues Porée
Beilstein J. Org. Chem. 2023, 19, 245–281. https://doi.org/10.3762/bjoc.19.23

Chemical Information

Calculated using the Chemistry Development Kit 2.12
Molecular Formula C5H4O2
Molecular Weight 96.08 g/mol
Exact Mass 96.0211 Da
InChI
InChI=1S/C5H4O2/c6-5-2-1-3-7-4-5/h1-4H
InChIKey
FXIHIIVCQJFZMK-UHFFFAOYSA-N
SMILES
C1=C[O+]=CC(=C1)[O-]
Number of Atoms 11
Number of H-Bond Acceptors 1
Number of H-Bond Donors 0
Atoms in the Largest π-System 7
XLogP 0.6
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