Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA05000061
Common NameCetyl alcohol (W)
Systematic Name1-hexadecanol
Synonyms-
Exact Mass
242.2610 (neutral)    Calculate m/z:
FormulaC16H34O
CategoryFatty Acyls [FA]
Main ClassFatty alcohols [FA05]
Sub Class-
PubChem CID2682
KEGG IDC00823
HMDB IDHMDB0003424
CHEBI ID16125
SWISSLIPIDS IDSLM:000000202
InChIKeyBXWNKGSJHAJOGX-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3
SMILESC(CCCCCCCO)CCCCCCCC
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms17Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
294.15Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP5.74Molar
Refractivity
77.89