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 C8H10O
Molecular Weight 122.16 g/mol
Exact Mass 122.0732 Da
InChI
InChI=1S/C8H10O/c1-2-3-7-4-5-8(9)6-7/h2,6H,1,3-5H2
InChIKey
ZPIVSQMQBDKUCB-UHFFFAOYSA-N
SMILES
C=CCC1=CC(=O)CC1
Number of Atoms 19
Number of H-Bond Acceptors 1
Number of H-Bond Donors 0
Atoms in the Largest π-System 4
XLogP 1.2
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