Octane
Representations & DB's id
| ||
| ChEBI: | CHEBI:17590 | |
|---|---|---|
| ChEMBL: | CHEMBL134886 | |
| PubChem: | 356 | |
| IUPAC: | octane | |
| Standard InChI: | InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3 | |
| Standard InChI Key: | TVMXDCGIABBOFY-UHFFFAOYSA-N | |
| SMILES: | CCCCCCCC | |
Molecular propeties
| ||
| AlogP: | 3.37 | |
|---|---|---|
| Hydrogen bonds acceptors: | 0 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 0 | |
| Molecular Weight: | 114.14 | |
| Topological polar surface area: | 0 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 1 | |
| Number of carbons: | 8 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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