Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA11000588
Common NameTriacontane
Systematic NameTriacontane
Synonyms-
Exact Mass
422.4852 (neutral)    Calculate m/z:
FormulaC30H62
CategoryFatty Acyls [FA]
Main ClassHydrocarbons [FA11]
Sub Class-
PubChem CID12535
InChIKeyJXTPJDDICSTXJX-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C30H62/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16
-14-12-10-8-6-4-2/h3-30H2,1-2H3
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
MS SpectraView MoNA MS spectra     
StatusActive
CommentsPherobase Semiochemicals
Calculated physicochemical properties (?):
 Heavy Atoms30Rings0Aromatic Rings0Rotatable Bonds27
 van der Waals
Molecular Volume
527.56Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP11.95Molar
Refractivity
140.62