Gamma-Dodecalactone
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1269378 | |
| PubChem: | 12237820 | |
| IUPAC: | (5S)-5-octyloxolan-2-one | |
| Standard InChI: | InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h11H,2-10H2,1H3/t11-/m0/s1 | |
| Standard InChI Key: | WGPCZPLRVAWXPW-NSHDSACASA-N | |
| SMILES: | CCCCCCCC[C@H]1CCC(=O)O1 | |
Molecular propeties
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| AlogP: | 3.44 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 7 | |
| Number of rings: | 1 | |
| Molecular Weight: | 198.16 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.917 | |
| Number of carbons: | 12 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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