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 |