Structure Database (LMSD)

Common Name
8E-Heneicosene
Systematic Name
8E-Heneicosene
Synonyms
LM ID
LMFA11000041
Status
Active
Exact Mass
Calculate m/z
294.32865
Formula
C21H42
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

String Representations

InChiKey (Click to copy)
JSEZWBOLDGVZFR-BMRADRMJSA-N
InChi (Click to copy)
InChI=1S/C21H42/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h15,17H,3-14,16,18-21H2,1-2H3/b17-15+
SMILES (Click to copy)
CCCCCCC/C=C/CCCCCCCCCCCC

References

Comments
Pherobase Semiochemicals

Other Databases

CHEBI ID
169615
PubChem CID
22171964

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 369.22
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 8.21
Molar Refractivity 98.98

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Updated at
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