Structure Database (LMSD)

I O OH
Common Name
2-iodo-hexadecanoic acid
Systematic Name
2-iodo-hexadecanoic acid
Synonyms
  • Hexadecanoic acid, 2-iodo-
  • 2-Iodohexadecanoic acid
LM ID
LMFA01090037
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)
YLPKUDQPEREJNG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=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)
SMILES (Click to copy)
C(C(I)CCCCCCCCCCCCCC)(=O)O

References

Other Databases

LIPIDAT ID
5011
PubChem CID
5312957

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
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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