2-Butyloctan-1-Ol
Representations & DB's id
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| ChEBI: | CHEBI:84235 | |
|---|---|---|
| ChEMBL: | CHEMBL3183262 | |
| PubChem: | 19800 | |
| IUPAC: | 2-butyloctan-1-ol | |
| Standard InChI: | InChI=1S/C12H26O/c1-3-5-7-8-10-12(11-13)9-6-4-2/h12-13H,3-11H2,1-2H3 | |
| Standard InChI Key: | XMVBHZBLHNOQON-UHFFFAOYSA-N | |
| SMILES: | CCCCCCC(CCCC)CO | |
Molecular propeties
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| AlogP: | 3.76 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 9 | |
| Number of rings: | 0 | |
| Molecular Weight: | 186.2 | |
| Topological polar surface area: | 20.2 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 1 | |
| Number of carbons: | 12 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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