Structure Database (LMSD)

Common Name
2Z,4E,6Z-Decatrienoic acid
Systematic Name
2Z,4E,6Z-Decatrienoic acid
Synonyms
  • 2,4,6-Decatrienoic acid, (Z,E,Z)-
  • 2c,4t,6c-Decatrienoic acid
LM ID
LMFA01031053
Formula
Exact Mass
Calculate m/z
166.09938
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
FELONIKRCJBDIO-AOXGSFFOSA-N
InChi (Click to copy)
InChI=1S/C10H14O2/c1-2-3-4-5-6-7-8-9-10(11)12/h4-9H,2-3H2,1H3,(H,11,12)/b5-4-,7-6+,9-8-
SMILES (Click to copy)
C(/C=C\C=C\C=C/CCC)(=O)O

References

Other Databases

PubChem CID
PlantFA ID

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 188.58
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 2.54
Molar Refractivity 49.96

Reactions

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Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022