Structure Database (LMSD)

Common Name
4,8,16-Trimethyldotriacontane
Systematic Name
4,8,16-Trimethyldotriacontane
Synonyms
LM ID
LMFA11000422
Formula
C35H72
Exact Mass
Calculate m/z
492.563401
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 uniraptor (#7429)
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)
XAFPRWYKXXBKSF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C35H72/c1-6-8-9-10-11-12-13-14-15-16-17-18-20-23-28-34(4)29-24-21-19-22-25-30-35(5)32-26-31-33(3)27-7-2/h33-35H,6-32H2,1-5H3
SMILES (Click to copy)
CCCC(C)CCCC(C)CCCCCCCC(C)CCCCCCCCCCCCCCCC

Other Databases

PubChem CID
6430427

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 0
Aromatic Rings 0
Rotatable Bonds 29
Van der Waals Molecular Volume 614.06
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 13.47
Molar Refractivity 163.50

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Created at
-
Updated at
12th Dec 2025