Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01080001
Common Name2-methoxy-5Z-hexadecenoic acid
Systematic Name2-methoxy-5Z-hexadecenoic acid
Synonyms-
Exact Mass
284.2351 (neutral)    Calculate m/z:
FormulaC17H32O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassMethoxy fatty acids [FA0108]
PubChem CID5282257
InChIKeyIZQFBIOUXQEERU-SEYXRHQNSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C17H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(20-2)17(18)19/h12-13,16H
,3-11,14-15H2,1-2H3,(H,18,19)/b13-12-
SMILESOC(C(OC)CC/C=C\CCCCCCCCCC)=O
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
323.75Topological Polar
Surface Area
46.53Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP5.24Molar
Refractivity
84.55