Zerumbone
Representations & DB's id
| ||
| ChEBI: | CHEBI:63892 | |
|---|---|---|
| ChEMBL: | CHEMBL245412 | |
| PubChem: | 5470187 | |
| IUPAC: | (2E,6E,10E)-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one | |
| Standard InChI: | InChI=1S/C15H22O/c1-12-6-5-7-13(2)14(16)9-11-15(3,4)10-8-12/h7-9,11H,5-6,10H2,1-4H3/b11-9+,12-8+,13-7+ | |
| Standard InChI Key: | GIHNTRQPEMKFKO-SKTNYSRSSA-N | |
| SMILES: | C/C/1=CCC(C)(C)/C=C/C(=O)/C(=C/CC1)/C | |
Molecular propeties
| ||
| AlogP: | 4.21 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 1 | |
| Molecular Weight: | 218.17 | |
| Topological polar surface area: | 17.1 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.533 | |
| Number of carbons: | 15 | |