Structure database (LMSD)

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LM IDLMFA12000187
Common NameHexadecan-2-one
Systematic NameHexadecan-2-one
Synonyms-
Exact Mass
240.2453 (neutral)    Calculate m/z:
FormulaC16H32O
CategoryFatty Acyls [FA]
Main ClassOxygenated hydrocarbons [FA12]
Sub Class-
PubChem CID29251
HMDB IDHMDB0031052
InChIKeyXCXKZBWAKKPFCJ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C16H32O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17/h3-15H2,1-2H3
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SMILES
CC(=O)CCCCCCCCCCCCCC
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms17Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
291.51Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP5.67Molar
Refractivity
76.38