Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01030036
Common NameUndecylenic acid
Systematic Name10-undecenoic acid
Synonyms10-undecylenic acid; C11:1n-1; 10-hendecenoic acid
Exact Mass
184.1463 (neutral)    Calculate m/z:
FormulaC11H20O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDBANK IDDFA0075
PubChem Compound ID (CID)5634
CHEBI ID35045
InChIKeyFRPZMMHWLSIFAZ-UHFFFAOYSA-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/h2H,1,3-10H2,(H,12,13)
SMILESC(=C)CCCCCCCCC(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms13Rings0Aromatic Rings0Rotatable Bonds9
 van der Waals
Molecular Volume
211.16Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP3.38Molar
Refractivity
54.77