2,6-Dimethylhept-5-Enal
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3184983 | |
| PubChem: | 61016 | |
| IUPAC: | 2,6-dimethylhept-5-enal | |
| Standard InChI: | InChI=1S/C9H16O/c1-8(2)5-4-6-9(3)7-10/h5,7,9H,4,6H2,1-3H3 | |
| Standard InChI Key: | YGFGZTXGYTUXBA-UHFFFAOYSA-N | |
| SMILES: | O=CC(CCC=C(C)C)C | |
Molecular propeties
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| AlogP: | 2.57 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 0 | |
| Molecular Weight: | 140.12 | |
| Topological polar surface area: | 17.1 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.667 | |
| Number of carbons: | 9 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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