hexadecanal   

GtoPdb Ligand ID: 6627

Synonyms: palmitaldehyde
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 14
Topological polar surface area 17.07
Molecular weight 240.25
XLogP 7.98
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
Canonical SMILES CCCCCCCCCCCCCCCC=O
Isomeric SMILES CCCCCCCCCCCCCCCC=O
InChI InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-15H2,1H3
InChI Key NIOYUNMRJMEDGI-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
hexadecanal
Synonyms
palmitaldehyde
Database Links
CAS Registry No. 629-80-1 (source: Scifinder)
ChEBI CHEBI:17600
ChEMBL Ligand CHEMBL1235338
GtoPdb PubChem SID 178103240
PubChem CID 984
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