Structure database (LMSD)

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LM IDLMFA01030188
Common NameAleprestic acid
Systematic Name5-(2-cyclopentenyl)-pentanoic acid
Synonyms2-cyclopentene-1-pentanoic acid; 5-(2-cyclopenten-1-yl)pentanoic acid; 5-
(cyclopent-2-enyl)pentanoic acid
Exact Mass
168.1150 (neutral)    Calculate m/z:
FormulaC10H16O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDBANK IDDFA0259
PubChem CID5282852
PlantFA ID10217
InChIKeyLKYXRLKMAYFZDK-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C10H16O2/c11-10(12)8-4-3-7-9-5-1-2-6-9/h1,5,9H,2-4,6-8H2,(H,11,12)
SMILESC1(C=CCC1)CCCCC(=O)O
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms12Rings1Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
181.50Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP2.60Molar
Refractivity
47.97