Structure Database (LMSD)

Common Name
4,8,12-Trimethyltetratriacontane
Systematic Name
4,8,12-Trimethyltetratriacontane
Synonyms
LM ID
LMFA11000421
Formula
C37H76
Exact Mass
Calculate m/z
520.594701
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)
ZDTFBKSOWFOLKX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C37H76/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-30-36(4)32-28-34-37(5)33-27-31-35(3)29-7-2/h35-37H,6-34H2,1-5H3
SMILES (Click to copy)
CCCC(C)CCCC(C)CCCC(C)CCCCCCCCCCCCCCCCCCCCCC

Other Databases

PubChem CID
56936181

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 0
Aromatic Rings 0
Rotatable Bonds 31
Van der Waals Molecular Volume 648.66
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 14.25
Molar Refractivity 172.73

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Created at
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Updated at
9th Dec 2025