Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA12000006
Common Namehentriacontane-14,16-dione
Systematic Namehentriacontane-14,16-dione
SynonymsHentriacontane-14,16-dione
Exact Mass
464.4593 (neutral)    Calculate m/z:
FormulaC31H60O2
CategoryFatty Acyls [FA]
Main ClassOxygenated hydrocarbons [FA12]
Sub Class-
PubChem CID441489
KEGG IDC08377
CHEBI ID5660
InChIKeyLZBJUTTUMRSJBP-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C31H60O2/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-31(33)29-30(32)27-25-
23-21-19-17-14-12-10-8-6-4-2/h3-29H2,1-2H3
SMILESC(CCCCCCCCCCCCCC)C(=O)CC(=O)CCCCCCCCCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms33Rings0Aromatic Rings0Rotatable Bonds28
 van der Waals
Molecular Volume
557.16Topological Polar
Surface Area
34.14Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP10.70Molar
Refractivity
146.02