6-Pentyloxan-2-One
Representations & DB's id
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| ChEBI: | CHEBI:87327 | |
|---|---|---|
| ChEMBL: | CHEMBL3182189 | |
| PubChem: | 12810 | |
| IUPAC: | 6-pentyloxan-2-one | |
| Standard InChI: | InChI=1S/C10H18O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h9H,2-8H2,1H3 | |
| Standard InChI Key: | GHBSPIPJMLAMEP-UHFFFAOYSA-N | |
| SMILES: | CCCCCC1CCCC(=O)O1 | |
Molecular propeties
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| AlogP: | 2.66 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 1 | |
| Molecular Weight: | 170.13 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.9 | |
| Number of carbons: | 10 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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