Structure database (LMSD)

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LM IDLMFA12000005
Common Namehentriacontan-16-one
Systematic Namehentriacontan-16-one
Synonyms16-Hentriacontanone; Hentriacontan-16-one; dipentadecyl ketone; palmitone
Exact Mass
450.4801 (neutral)    Calculate m/z:
FormulaC31H62O
CategoryFatty Acyls [FA]
Main ClassOxygenated hydrocarbons [FA12]
Sub Class-
PubChem CID94741
KEGG IDC08379
HMDB IDHMDB0031036
CHEBI ID5658
InChIKeyUNRFDARCMOHDBJ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C31H62O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(32)30-28-26-24-22-2
0-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3
SMILESC(=O)(CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms32Rings0Aromatic Rings0Rotatable Bonds28
 van der Waals
Molecular Volume
551.01Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP11.52Molar
Refractivity
145.63