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 |