Structure database (LMSD)

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LM IDLMFA01030212
Common Name5E,8E-decadienoic acid
Systematic Name5E,8E-decadienoic acid
SynonymsC10:2n-2,5
Exact Mass
168.1150 (neutral)    Calculate m/z:
FormulaC10H16O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
AbbrevFA 10:2
LIPIDAT ID2648
PubChem CID5312364
InChIKeyQEIXPEPQEMBGFO-ZIMISOLQSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-3,5-6H,4,7-9H2,1H3,(H,11,12)/b3-2+,6-5+
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SMILES
C(CCC/C=C/C/C=C/C)(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms12Rings0Aromatic Rings0Rotatable Bonds6
 van der Waals
Molecular Volume
191.22Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP2.76Molar
Refractivity
50.06