Structure Database (LMSD)

Common Name
16-bromo-9E-hexadecenoic acid
Systematic Name
16-bromo-9E-hexadecenoic acid
Synonyms
LM ID
LMFA01090012
Status
Active
Exact Mass
Calculate m/z
332.135091
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)
GPTUUMAGTKZYRF-HNQUOIGGSA-N
InChi (Click to copy)
InChI=1S/C16H29BrO2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h1,3H,2,4-15H2,(H,18,19)/b3-1+
SMILES (Click to copy)
C(CCCCCCC/C=C/CCCCCCBr)(=O)O

References

Other Databases

LIPIDAT ID
2406
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 316.94
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.99
Molar Refractivity 86.46

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Created at
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Updated at
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