Structure Database (LMSD)

Common Name
1-Docosene
Systematic Name
1-Docosene
Synonyms
LM ID
LMFA11000312
Formula
C22H44
Exact Mass
Calculate m/z
308.344301
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra
View NP-MRD ID(NMR) spectrum

Classification

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

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Xylocopa virginica texana (#1985602)
Insecta (#50557)
Chemistry of dufour's gland secretions of Xylocopa virginica texana and Xylocopa micans (Hymenoptera:Anthophoridae)—A comparison and re-evaluation of previous work,
Comp Biochem Physiol B, 1983

String Representations

InChiKey (Click to copy)
SPURMHFLEKVAAS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H44/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-22H2,2H3
SMILES (Click to copy)
C=CCCCCCCCCCCCCCCCCCCCC

Other Databases

HMDB ID
HMDB0062602
CHEBI ID
84220
PubChem CID
74138

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 386.52
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 8.60
Molar Refractivity 103.59

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Created at
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Updated at
23rd Dec 2025