Structure database (LMSD)

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LM IDLMFA11000580
Common NameOctacosane
Systematic NameOctacosane
Synonyms-
Exact Mass
394.4539 (neutral)    Calculate m/z:
FormulaC28H58
CategoryFatty Acyls [FA]
Main ClassHydrocarbons [FA11]
Sub Class-
PubChem CID12408
HMDB IDHMDB0061868
InChIKeyZYURHZPYMFLWSH-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C28H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3
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SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCC
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MS SpectraView MoNA MS spectra     
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms28Rings0Aromatic Rings0Rotatable Bonds25
 van der Waals
Molecular Volume
492.96Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP11.17Molar
Refractivity
131.39