3,7-Dimethylocta-2,6-Dienal
Representations & DB's id
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| ChEBI: | CHEBI:23316 | |
|---|---|---|
| ChEMBL: | CHEMBL2297541 | |
| PubChem: | 8843 | |
| IUPAC: | 3,7-dimethylocta-2,6-dienal | |
| Standard InChI: | InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3 | |
| Standard InChI Key: | WTEVQBCEXWBHNA-UHFFFAOYSA-N | |
| SMILES: | O=CC=C(CCC=C(C)C)C | |
Molecular propeties
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| AlogP: | 2.88 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 0 | |
| Molecular Weight: | 152.12 | |
| Topological polar surface area: | 17.1 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.5 | |
| Number of carbons: | 10 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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