Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01080019
Common Name9,9-dimethoxy-nonanoic acid
Systematic Name9,9-dimethoxy-nonanoic acid
SynonymsNonanoic acid, 9,9-dimethoxy-
Exact Mass
218.1518 (neutral)    Calculate m/z:
FormulaC11H22O4
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassMethoxy fatty acids [FA0108]
PubChem CID11020360
PlantFA ID10766
InChIKeyXDIISQHQFQMEIB-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C11H22O4/c1-14-11(15-2)9-7-5-3-4-6-8-10(12)13/h11H,3-9H2,1-2H3,(H,12,13
)
SMILESC(CCCCCCCC(OC)OC)(=O)O
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms15Rings0Aromatic Rings0Rotatable Bonds10
 van der Waals
Molecular Volume
231.38Topological Polar
Surface Area
55.76Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
4
 logP2.71Molar
Refractivity
58.27