Structure Database (LMSD)

Common Name
7,8-dichloro-hexadecanoic acid
Systematic Name
7,8-dichloro-hexadecanoic acid
Synonyms
  • 16:0(7Cl,8Cl)
LM ID
LMFA01090060
Formula
C16H30Cl2O2
Exact Mass
Calculate m/z
324.162286
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Anguilla anguilla (#7936)
Actinopteri (#186623)
Natural halogenated fatty acids: their analogues and derivatives.,
Prog Lipid Res, 2002
Pubmed ID: 11958814

String Representations

InChiKey (Click to copy)
IWIVTQOROAIDTG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=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)
SMILES (Click to copy)
C(CCCCCC(Cl)C(Cl)CCCCCCCC)(=O)O

Other Databases

CHEBI ID
187821
PubChem CID
14550262

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 330.72
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.56
Molar Refractivity 89.02

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Updated at
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