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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

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Chemical structure C<sub>12</sub>H<sub>16</sub>O

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Extracted from

Scheme 36

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₂H₁₆O
Molecular Weight	176.26 g/mol
Exact Mass	176.1201 Da
InChI	InChI=1S/C12H16O/c1-4-5-11-9(2)6-7-12(11)10(3)8-13/h1,8,10,12H,5-7H2,2-3H3/t10-,12-/m0/s1
InChIKey	MNFPJHLXKCTSIC-JQWIXIFHSA-N
SMILES	C#CCC1=C(C)CC[C@@]1([H])[C@@H](C)C([H])=O
Number of Atoms	29
Number of H-Bond Acceptors	1
Number of H-Bond Donors	0
Atoms in the Largest π-System	2
XLogP	2.4

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