Structure Database (LMSD)

Common Name
3,6,9-Hexadecatriene
Systematic Name
3,6,9-Hexadecatriene
Synonyms
LM ID
LMFA11000368
Formula
C16H28
Exact Mass
Calculate m/z
220.2191
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Hydrocarbons [FA11]

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
XIOMYUYIOZJQJL-WHEYLVAPSA-N
InChi (Click to copy)
InChI=1S/C16H28/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h5,7,11,13-14,16H,3-4,6,8-10,12,15H2,1-2H3/b7-5+,13-11+,16-14+
SMILES (Click to copy)
CC/C=C/C/C=C/C/C=C/CCCCCC

Other Databases

CHEBI ID
186821
PubChem CID
56936169

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 277.44
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 5.82
Molar Refractivity 75.70

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Updated at
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