Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA05000008
Common NameBehenyl alcohol (W)
Systematic Name1-docosanol
Synonymsdocosan-1-ol
Exact Mass
326.3549 (neutral)    Calculate m/z:
FormulaC22H46O
CategoryFatty Acyls [FA]
Main ClassFatty alcohols [FA05]
Sub Class-
PubChem CID12620
HMDB IDHMDB0014770
CHEBI ID31000
SWISSLIPIDS IDSLM:000001242
CAYMAN ID23793
InChIKeyNOPFSRXAKWQILS-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C22H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h2
3H,2-22H2,1H3
SMILESC(CCCCCCCCCCCCCO)CCCCCCCC
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings0Aromatic Rings0Rotatable Bonds20
 van der Waals
Molecular Volume
397.95Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP8.09Molar
Refractivity
105.59