Structure Database (LMSD)

Common Name
Heneicosane
Systematic Name
Heneicosane
Synonyms
LM ID
LMFA11000572
Formula
C21H44
Exact Mass
Calculate m/z
296.3443
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

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

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
FNAZRRHPUDJQCJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H44/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-21H2,1-2H3
SMILES (Click to copy)
CCCCCCCCCCCCCCCCCCCCC

Other Databases

HMDB ID
HMDB0061782
CHEBI ID
32931
PubChem CID
12403

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 371.86
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 8.44
Molar Refractivity 99.07

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Created at
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Updated at
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