Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA05000022
Common Name2,9-heptadecadien-4,6-diyn-1,8-diol
Systematic Name2,9-heptadecadien-4,6-diyn-1,8-diol
Synonymsheptadeca-2,9-dien-4,6-diyn-1,8-diol
Exact Mass
260.1776 (neutral)    Calculate m/z:
FormulaC17H24O2
CategoryFatty Acyls [FA]
Main ClassFatty alcohols [FA05]
Sub Class-
PubChem CID5283275
InChIKeyUECWLXACMXYTFN-IFQMDVHZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C17H24O2/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18/h10-11,13-14,
17-19H,2-6,8,16H2,1H3/b13-10+,14-11+
SMILESC(/C#CC#CC(O)/C=C/CCCCCCC)=C\CO
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings0Aromatic Rings0Rotatable Bonds8
 van der Waals
Molecular Volume
304.40Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP3.39Molar
Refractivity
81.30