Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA09000002
Common Name4Z,7Z,10Z-octadecatrienenitrile
Systematic Name4Z,7Z,10Z-octadecatrienenitrile
Synonyms-
Exact Mass
259.2300 (neutral)    Calculate m/z:
FormulaC18H29N
CategoryFatty Acyls [FA]
Main ClassFatty nitriles [FA09]
Sub Class-
PubChem CID5282274
KEGG IDC13832
InChIKeyIZQMXCVZGSWCLH-ORZIMQNZSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H29N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h8-9,11-12,14-
15H,2-7,10,13,16-17H2,1H3/b9-8-,12-11-,15-14-
SMILESCCCCCCC/C=C\C/C=C\C/C=C\CCC#N
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings0Aromatic Rings0Rotatable Bonds12
 van der Waals
Molecular Volume
317.76Topological Polar
Surface Area
23.79Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP6.10Molar
Refractivity
84.88