(E)-2-Octenal
Representations & DB's id
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| ChEBI: | CHEBI:61748 | |
|---|---|---|
| ChEMBL: | CHEMBL448058 | |
| PubChem: | 5283324 | |
| IUPAC: | (E)-oct-2-enal | |
| Standard InChI: | InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3/b7-6+ | |
| Standard InChI Key: | LVBXEMGDVWVTGY-VOTSOKGWSA-N | |
| SMILES: | CCCCC/C=C/C=O | |
Molecular propeties
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| AlogP: | 2.32 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 0 | |
| Molecular Weight: | 126.1 | |
| Topological polar surface area: | 17.1 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.625 | |
| Number of carbons: | 8 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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