Structure Database (LMSD)

O OH
Common Name
8Z-Hexadecenoic acid
Systematic Name
8Z-Hexadecenoic acid
Synonyms
  • 8-Hexadecenoic acid, (Z)-
  • Hexadec-8c-enoic acid
LM ID
LMFA01031081
Formula
Exact Mass
Calculate m/z
254.22458
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
NJTVGRDDFBKQLU-HJWRWDBZSA-N
InChi (Click to copy)
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h8-9H,2-7,10-15H2,1H3,(H,17,18)/b9-8-
SMILES (Click to copy)
C(CCCCCC/C=C\CCCCCCC)(=O)O

References

Other Databases

CHEBI ID
PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 297.66
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.33
Molar Refractivity 77.85

Reactions

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Reactions graph legend

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Created at
-
Updated at
25th Apr 2022