Structure Database (LMSD)

Common Name
6-bromo-5E,9Z-hexacosadienoic acid
Systematic Name
6-bromo-5E,9Z-hexacosadienoic acid
Synonyms
LM ID
LMFA01090017
Status
Active
Exact Mass
Calculate m/z
470.275941
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
IIPLCJVYXLOVIW-GNDNDAELSA-N
InChi (Click to copy)
InChI=1S/C26H47BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25(27)23-20-21-24-26(28)29/h17-18,23H,2-16,19-22,24H2,1H3,(H,28,29)/b18-17-,25-23-
SMILES (Click to copy)
C(CCC/C=C(\Br)/CC/C=C\CCCCCCCCCCCCCCCC)(=O)O

References

Other Databases

LIPIDAT ID
2399
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 0
Aromatic Rings 0
Rotatable Bonds 22
Van der Waals Molecular Volume 487.30
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 9.73
Molar Refractivity 131.80

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Created at
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Updated at
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