Structure Database (LMSD)

Common Name
1,3Z,6Z,9Z-Heneicosatetraene
Systematic Name
1,3Z,6Z,9Z-Heneicosatetraene
Synonyms
LM ID
LMFA11000159
Formula
C21H36
Exact Mass
Calculate m/z
288.2817
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)
HFDJMLREALXHAD-JTBMWNAQSA-N
InChi (Click to copy)
InChI=1S/C21H36/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3,5,7,11,13,17,19H,1,4,6,8-10,12,14-16,18,20-21H2,2H3/b7-5-,13-11-,19-17-
SMILES (Click to copy)
C=C/C=C\C/C=C\C/C=C\CCCCCCCCCCC

Other Databases

PubChem CID
23255044

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 361.30
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 7.54
Molar Refractivity 98.70

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Created at
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Updated at
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