Structure database (LMSD)

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LM IDLMFA01140023
Common NameHydnocarpic acid
Systematic Name11-(2-cyclopentenyl)-undecanoic acid
Synonyms2-cyclopentene-1-undecanoic acid; 11-(2-cyclopenten-1-yl)undecanoic acid; 11-
(cyclopent-2-enyl)hendecanoic acid
Exact Mass
252.2089 (neutral)    Calculate m/z:
FormulaC16H28O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassCarbocyclic fatty acids [FA0114]
Alternative ClassesUnsaturated fatty acids[FA0103]
PubChem CID110680
PlantFA ID10219
InChIKeySRELFLQJDOTNLJ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H28O2/c17-16(18)14-8-6-4-2-1-3-5-7-11-15-12-9-10-13-15/h9,12,15H,1-8
,10-11,13-14H2,(H,17,18)
SMILESC(CC1C=CCC1)CCCCCCCCC(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms18Rings1Aromatic Rings0Rotatable Bonds11
 van der Waals
Molecular Volume
285.30Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP4.94Molar
Refractivity
75.67