Structure database (LMSD)

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LM IDLMFA01140054
Common Name11-(2-cyclopenten-1-yl)-9Z-undecenoic acid
Systematic Name11-(2-cyclopenten-1-yl)-9Z-undecenoic acid
Synonyms9-Undecenoic acid, 11-(2-cyclopenten-1-yl)-, (Z)-
Exact Mass
250.1933 (neutral)    Calculate m/z:
FormulaC16H26O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassCarbocyclic fatty acids [FA0114]
PubChem CID131839799
PlantFA ID10579
InChIKeyXHKGOBDLIAAXGV-ALCCZGGFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H26O2/c17-16(18)14-8-6-4-2-1-3-5-7-11-15-12-9-10-13-15/h5,7,9,12,15H
,1-4,6,8,10-11,13-14H2,(H,17,18)/b7-5-
SMILESC(O)(=O)CCCCCCC/C=C\CC1CCC=C1
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms18Rings1Aromatic Rings0Rotatable Bonds10
 van der Waals
Molecular Volume
282.66Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP4.71Molar
Refractivity
75.58