Structure database (LMSD)

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LM IDLMFA01090060
Common Name7,8-dichloro-hexadecanoic acid
Systematic Name7,8-dichloro-hexadecanoic acid
Synonyms16:0(7Cl,8Cl)
Exact Mass
324.1623 (neutral)    Calculate m/z:
FormulaC16H30Cl2O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHalogenated fatty acids [FA0109]
PubChem CID14550262
InChIKeyIWIVTQOROAIDTG-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H30Cl2O2/c1-2-3-4-5-6-8-11-14(17)15(18)12-9-7-10-13-16(19)20/h14-15H
,2-13H2,1H3,(H,19,20)
SMILESC(CCCCCC(Cl)C(Cl)CCCCCCCC)(=O)O
StatusActive
ReferencesNatural halogenated fatty acids: their analogues and derivatives
Valery M Dembitsky and Morris Srebnik
Progress in Lipid Research,41(4), 315-367 (2002)
Calculated physicochemical properties (?):
 Heavy Atoms20Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
330.72Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP6.56Molar
Refractivity
89.02