Structure Database (LMSD)

Common Name
3E-hexadecenoic acid
Systematic Name
3E-hexadecenoic acid
Synonyms
  • C16:1n-13
LM ID
LMFA01030266
Status
Active
Exact Mass
Calculate m/z
254.22458
Formula
Abbrev


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)
PCBKWKNYISJGPJ-BUHFOSPRSA-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/h13-14H,2-12,15H2,1H3,(H,17,18)/b14-13+
SMILES (Click to copy)
C(C/C=C/CCCCCCCCCCCC)(=O)O

References

Other Databases

LIPIDAT ID
1756
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 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.33
Molar Refractivity 77.85

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Created at
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Updated at
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