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 C5H6O
Molecular Weight 82.10 g/mol
Exact Mass 82.0419 Da
InChI
InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2
InChIKey
BZKFMUIJRXWWQK-UHFFFAOYSA-N
SMILES
C1=CC(=O)CC1
Number of Atoms 12
Number of H-Bond Acceptors 1
Number of H-Bond Donors 0
Atoms in the Largest π-System 4
XLogP 0.2
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