Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01170007
Common NameUndecanedioic acid
Systematic NameUndecanedioic acid
SynonymsUndecandioic acid; 1,11-Undecanedioic acid
Exact Mass
216.1362 (neutral)    Calculate m/z:
FormulaC11H20O4
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassDicarboxylic acids [FA0117]
LIPIDAT ID6867
PubChem CID15816
HMDB IDHMDB0000888
PlantFA ID10765
InChIKeyLWBHHRRTOZQPDM-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C11H20O4/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15/h1-9H2,(H,12,13)(H,14,15)
SMILESC(CCCCCCCCCC(=O)O)(=O)O
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms15Rings0Aromatic Rings0Rotatable Bonds10
 van der Waals
Molecular Volume
228.74Topological Polar
Surface Area
74.60Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP2.67Molar
Refractivity
56.82