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 | C15H24 |
| Molecular Weight | 204.35 g/mol |
| Exact Mass | 204.1878 Da |
| InChI |
InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9,15H,1,5,7-8,10-11H2,2-4H3/b13-6+,14-9+/t15-/m1/s1
|
| InChIKey |
XMRKUJJDDKYUHV-DFSVIBJJSA-N
|
| SMILES |
C=C(C)[C@@H]1CC/C(=C/CC/C(=C/C1)/C)/C
|
| Number of Atoms | 39 |
| Number of H-Bond Acceptors | 0 |
| Number of H-Bond Donors | 0 |
| Atoms in the Largest π-System | 2 |
| XLogP | 5.6 |
