2-Pentylfuran
Representations & DB's id
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| ChEBI: | CHEBI:89197 | |
|---|---|---|
| ChEMBL: | CHEMBL3182720 | |
| PubChem: | 19602 | |
| IUPAC: | 2-pentylfuran | |
| Standard InChI: | InChI=1S/C9H14O/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3 | |
| Standard InChI Key: | YVBAUDVGOFCUSG-UHFFFAOYSA-N | |
| SMILES: | CCCCCc1ccco1 | |
Molecular propeties
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| AlogP: | 3.01 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 1 | |
| Molecular Weight: | 138.1 | |
| Topological polar surface area: | 13.1 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.556 | |
| Number of carbons: | 9 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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