Structure database (LMSD)
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  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01030784
Common NameGeranic acid
Systematic Name3,7-Dimethyl-2E,6-octadienoic acid
Synonyms(2E)-3,7-di­methyl­octa-2,6-di­enoic acid
Exact Mass
168.1150 (neutral)    Calculate m/z:
FormulaC10H16O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
Alternative ClassesBranched fatty acids[FA0102]
AbbrevFA 10:2
PubChem CID5275520
KEGG IDC16461
CHEBI ID67264
InChIKeyZHYZQXUYZJNEHD-VQHVLOKHSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/b9-7+
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SMILES
C(/C=C(\C)/CC/C=C(\C)/C)(=O)O
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms12Rings0Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume		191.22Topological Polar
Surface Area		37.30Hydrogen
Bond Donors		1Hydrogen
Bond Acceptors		2
 logP2.76Molar
Refractivity		50.06