Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA06000088
Common NamePalmitaldehyde
Systematic Namehexadecanal
SynonymsPalmitic aldehyde
Exact Mass
240.2453 (neutral)    Calculate m/z:
FormulaC16H32O
CategoryFatty Acyls [FA]
Main ClassFatty aldehydes [FA06]
Sub Class-
PubChem CID984
KEGG IDC00517
HMDB IDHMDB0001551
CHEBI ID17600
SWISSLIPIDS IDSLM:000000388
CAYMAN ID9001996
InChIKeyNIOYUNMRJMEDGI-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-15H2,1H3
SMILESC(CCCCCC)CCCCCCCCC([H])=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms17Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
291.51Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP5.67Molar
Refractivity
76.38