Structure database (LMSD)

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LM IDLMFA01090039
Common Name16-iodo-hexadecanoic acid
Systematic Name16-iodo-hexadecanoic acid
SynonymsHexadecanoic acid, 16-iodo-; ω-Iodohexadecanoic acid; 16-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 ID5013
PubChem CID41111
InChIKeyRNTWMPKPEATMJA-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H31IO2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h1-15H2,(H,1
8,19)
SMILESC(CCCCCCCCCCCCCCCI)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings0Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
325.58Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP6.25Molar
Refractivity
91.65