Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA05000048
Common Name3E,13Z-octadecadien-1-ol
Systematic Name3E,13Z-octadecadien-1-ol
Synonymsoctadecan-3E,13Z-dien-1-ol
Exact Mass
266.2610 (neutral)    Calculate m/z:
FormulaC18H34O
CategoryFatty Acyls [FA]
Main ClassFatty alcohols [FA05]
Sub Class-
PubChem CID5283297
InChIKeyQBNCGBJHGBGHLS-IYUNJCAYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h5-6,15-16,19H
,2-4,7-14,17-18H2,1H3/b6-5-,16-15+
SMILESC(CC/C=C\CCCC)CCCCC/C=C/CCO
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
323.47Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP6.08Molar
Refractivity
86.93