Structure Database (LMSD)

Common Name
4,8,16-Trimethylhexatriacontane
Systematic Name
4,8,16-Trimethylhexatriacontane
Synonyms
LM ID
LMFA11000423
Formula
C39H80
Exact Mass
Calculate m/z
548.626001
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

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Muscidifurax raptor (#51937)
Insecta (#50557)
Gas chromatography/mass spectrometry analysis of the cuticular hydrocarbons from parasitic wasps of the genus Muscidifurax.,
J Am Soc Mass Spectrom, 1998
Pubmed ID: 27518868

String Representations

InChiKey (Click to copy)
GTXOPNHRSUDVBS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C39H80/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27-32-38(4)33-28-25-23-26-29-34-39(5)36-30-35-37(3)31-7-2/h37-39H,6-36H2,1-5H3
SMILES (Click to copy)
CCCC(C)CCCC(C)CCCCCCCC(C)CCCCCCCCCCCCCCCCCCCC

Other Databases

PubChem CID
6430428

Calculated Physicochemical Properties

Heavy Atoms 39
Rings 0
Aromatic Rings 0
Rotatable Bonds 33
Van der Waals Molecular Volume 683.26
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 15.03
Molar Refractivity 181.97

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Created at
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Updated at
12th Dec 2025