Structure Database (LMSD)

Common Name
Palmitaldehyde
Systematic Name
hexadecanal
Synonyms
  • Palmitic aldehyde
LM ID
LMFA06000088
Status
Active
Exact Mass
Calculate m/z
240.245315
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
NIOYUNMRJMEDGI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-15H2,1H3
SMILES (Click to copy)
C(CCCCCC)CCCCCCCCC([H])=O

References

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID
SwissLipids ID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 291.51
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.67
Molar Refractivity 76.38

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Created at
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Updated at
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