Structure database (LMSD)

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LM IDLMFA01150006
Common NameMethyl 5-hexyl-2-Furanoctanoate
Systematic NameMethyl 5-hexyl-2-Furanoctanoate
Synonyms2-Furanoctanoic acid, 5-hexyl-, methyl ester
Exact Mass
308.2351 (neutral)    Calculate m/z:
FormulaC19H32O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHeterocyclic fatty acids [FA0115]
Alternative ClassesUnsaturated fatty acids[FA0103]
PubChem CID13352703
PlantFA ID10190
InChIKeyZZSFTHVENQKCDJ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C19H32O3/c1-3-4-5-9-12-17-15-16-18(22-17)13-10-7-6-8-11-14-19(20)21-2/h
15-16H,3-14H2,1-2H3
SMILESO1C(CCCCCC)=CC=C1CCCCCCCC(OC)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings1Aromatic Rings1Rotatable Bonds14
 van der Waals
Molecular Volume
332.45Topological Polar
Surface Area
39.44Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
3
 logP5.46Molar
Refractivity
89.98