Structure Database (LMSD)

Common Name
5-Acetoxy-tetradeca-2E,4E,6E-trienoic acid
Systematic Name
5-Acetoxy-2E,4E,6E-tetradecatrienoic acid
Synonyms
  • 5-Acetoxy-tetradeca-2,4,6-trienoic acid, (E,E,E)-
LM ID
LMFA01050551
Formula
Exact Mass
Calculate m/z
280.16746
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
YQFHNRBXJBNOLE-HBCXVKFPSA-N
InChi (Click to copy)
InChI=1S/C16H24O4/c1-3-4-5-6-7-8-9-11-15(20-14(2)17)12-10-13-16(18)19/h9-13H,3-8H2,1-2H3,(H,18,19)/b11-9+,13-10+,15-12-
SMILES (Click to copy)
C(/C=C/C=C(\OC(=O)C)/C=C/CCCCCCC)(=O)O

References

Other Databases

CHEBI ID
PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 307.32
Topological Polar Surface Area 63.6
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 3.99
Molar Refractivity 79.14

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Created at
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Updated at
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