Structure database (LMSD)

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LM IDLMFA01030189
Common NameAleprylic acid
Systematic Name7-(2-cyclopentenyl)-heptanoic acid
Synonyms2-cyclopentene-1-heptanoic acid; 7-(2-cyclopenten-1-yl)heptanoic acid; 7-
(cyclopent-2-enyl)heptanoic acid
Exact Mass
196.1463 (neutral)    Calculate m/z:
FormulaC12H20O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
Alternative ClassesCarbocyclic fatty acids[FA0114]
LIPIDBANK IDDFA0260
PubChem CID5282853
PlantFA ID10314
InChIKeyGMYNCKRSFMEXPG-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C12H20O2/c13-12(14)10-4-2-1-3-7-11-8-5-6-9-11/h5,8,11H,1-4,6-7,9-10H2,(
H,13,14)
SMILESC1(C=CCC1)CCCCCCC(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms14Rings1Aromatic Rings0Rotatable Bonds7
 van der Waals
Molecular Volume
216.10Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP3.38Molar
Refractivity
57.20