Structure Database (LMSD)

Common Name
Docosane
Systematic Name
Docosane
Synonyms
LM ID
LMFA11000569
Formula
C22H46
Exact Mass
Calculate m/z
310.359951
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

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Tegenaria domestica (#209516)
Arachnida (#6854)
Contact Sex Signals in Two Sympatric Spider Species, Tegenaria domestica and Tegenaria pagana,
J Chem Ecol, 1997

String Representations

InChiKey (Click to copy)
HOWGUJZVBDQJKV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H46/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
SMILES (Click to copy)
CCCCCCCCCCCCCCCCCCCCCC

Other Databases

HMDB ID
HMDB0061865
CHEBI ID
46050
PubChem CID
12405
PDB ID
TWT

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 389.16
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 8.83
Molar Refractivity 103.69

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Created at
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Updated at
18th Nov 2025