Stability trends in carbocation intermediates stemming from germacrene A and hedycaryol

Naziha Tarannam, Prashant Kumar Gupta, Shani Zev and Dan Thomas Major
Beilstein J. Org. Chem. 2024, 20, 1189–1197. https://doi.org/10.3762/bjoc.20.101

Chemical Information

Calculated using the Chemistry Development Kit 2.12
Molecular Formula [C15H25]+
Molecular Weight 205.36 g/mol
Exact Mass 205.1956 Da
InChI
InChI=1S/C15H25/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9,15H,5,7-8,10-11H2,1-4H3/q+1/b13-6+,14-9+/t15-/m1/s1
InChIKey
BIAIGGCJAWTYOX-DFSVIBJJSA-N
SMILES
C[C+](C)[C@@H]1CC/C(=C/CC/C(=C/C1)/C)/C
Number of Atoms 40
Number of H-Bond Acceptors 0
Number of H-Bond Donors 0
Atoms in the Largest π-System 2
XLogP 6.3
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