Heptanal
Representations & DB's id
| ||
| ChEBI: | CHEBI:34787 | |
|---|---|---|
| ChEMBL: | CHEMBL18104 | |
| PubChem: | 8130 | |
| IUPAC: | heptanal | |
| Standard InChI: | InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3 | |
| Standard InChI Key: | FXHGMKSSBGDXIY-UHFFFAOYSA-N | |
| SMILES: | CCCCCCC=O | |
Molecular propeties
| ||
| AlogP: | 2.16 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 0 | |
| Molecular Weight: | 114.1 | |
| Topological polar surface area: | 17.1 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.857 | |
| Number of carbons: | 7 | |