Structure database (LMSD)

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LM IDLMFA01090037
Common Name2-iodo-hexadecanoic acid
Systematic Name2-iodo-hexadecanoic acid
SynonymsHexadecanoic acid, 2-iodo-; 2-Iodohexadecanoic acid
Exact Mass
382.1328 (neutral)    Calculate m/z:
FormulaC16H31IO2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassHalogenated fatty acids [FA0109]
LIPIDAT ID5011
PubChem CID5312957
InChIKeyYLPKUDQPEREJNG-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H31IO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14H2,
1H3,(H,18,19)
SMILESC(C(I)CCCCCCCCCCCCCC)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
325.58Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP6.25Molar
Refractivity
91.65