Loliolide
Representations & DB's id
| ||
| ChEBI: | CHEBI:69774 | |
|---|---|---|
| ChEMBL: | CHEMBL227113 | |
| PubChem: | 100332 | |
| IUPAC: | (6S,7aR)-6-hydroxy-4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one | |
| Standard InChI: | InChI=1S/C11H16O3/c1-10(2)5-7(12)6-11(3)8(10)4-9(13)14-11/h4,7,12H,5-6H2,1-3H3/t7-,11+/m0/s1 | |
| Standard InChI Key: | XEVQXKKKAVVSMW-WRWORJQWSA-N | |
| SMILES: | O[C@@H]1C[C@@]2(C)OC(=O)C=C2C(C1)(C)C | |
Molecular propeties
| ||
| AlogP: | 1.41 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 2 | |
| Molecular Weight: | 196.11 | |
| Topological polar surface area: | 46.5 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.727 | |
| Number of carbons: | 11 | |