Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01030035
Common Name9-hendecenoic acid
Systematic Name9-undecenoic acid
Synonyms9-undecylenic acid; C11:1n-2
Exact Mass
184.1463 (neutral)    Calculate m/z:
FormulaC11H20O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDBANK IDDFA0074
PubChem Compound ID (CID)517344
CHEBI ID39452
InChIKeyQDRSJFZQMOOSAF-NSCUHMNNSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-3H,4-10H2,1H3,(H,12,13)/b3-2
+
SMILESC(/C)=CCCCCCCCC(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms13Rings0Aromatic Rings0Rotatable Bonds8
 van der Waals
Molecular Volume
211.16Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP3.38Molar
Refractivity
54.77