n-hexanal

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 51
Total Number of Articles : 40
PubChem 6184
Molecular Formula

C6H12O

SMILES

CCCCCC=O

InChI

InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3

synonyms
  • HEXANAL
  • Caproaldehyde
  • 66-25-1
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Properties
Property Value
MW 100.16 g/mol
HBD 0
HBA 1
Rotatable Bond Count 4
Exact Mass 100.088815002 g/mol
Monoisotopic Mass 100.088815002 g/mol
Heavy Atom Count 7
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 41.4
xlogp 1.8
Topological Polar Surface Area 17.1