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 | C15H26O |
| Molecular Weight | 222.37 g/mol |
| Exact Mass | 222.1984 Da |
| InChI |
InChI=1S/C15H26O/c1-12-6-5-7-13(2)9-11-14(10-8-12)15(3,4)16/h6,9,14,16H,5,7-8,10-11H2,1-4H3/b12-6+,13-9+/t14-/m1/s1
|
| InChIKey |
SDMLCXJKAYFHQM-MKJLVJGCSA-N
|
| SMILES |
C/C/1=C\CC/C(=C/C[C@@H](CC1)C(C)(C)O)/C
|
| Number of Atoms | 42 |
| Number of H-Bond Acceptors | 1 |
| Number of H-Bond Donors | 1 |
| Atoms in the Largest π-System | 2 |
| XLogP | 4.2 |
