Structure Database (LMSD)

I O OH
Common Name
16-iodo-hexadecanoic acid
Systematic Name
16-iodo-hexadecanoic acid
Synonyms
  • Hexadecanoic acid, 16-iodo-
  • omega-Iodohexadecanoic acid
  • 16-Iodohexadecanoic acid
LM ID
LMFA01090039
Formula
C16H31IO2
Exact Mass
Calculate m/z
382.136882
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Halogenated fatty acids [FA0109]

String Representations

InChiKey (Click to copy)
RNTWMPKPEATMJA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H31IO2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h1-15H2,(H,18,19)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCI)(=O)O

References

Other Databases

LIPIDAT ID
5013
PubChem CID
41111

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 325.58
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.25
Molar Refractivity 91.65

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Created at
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Updated at
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