Structure Database (LMSD)

Common Name
3,13-Dimethylheptacosane
Systematic Name
3,13-Dimethylheptacosane
Synonyms
LM ID
LMFA11000358
Formula
C29H60
Exact Mass
Calculate m/z
408.469501
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
Tribolium destructor (#188756)
Insecta (#50557)
Cuticular Hydrocarbons of Tribolium confusum Larvae Mediate Trail Following and Host Recognition in the Ectoparasitoid Holepyris sylvanidis.,
J Chem Ecol, 2017
Pubmed ID: 28894979

String Representations

InChiKey (Click to copy)
GKTHRJBQZQMUSE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C29H60/c1-5-7-8-9-10-11-12-13-14-16-20-23-26-29(4)27-24-21-18-15-17-19-22-25-28(3)6-2/h28-29H,5-27H2,1-4H3
SMILES (Click to copy)
CCC(C)CCCCCCCCCC(C)CCCCCCCCCCCCCC

Other Databases

PubChem CID
526583

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 0
Aromatic Rings 0
Rotatable Bonds 24
Van der Waals Molecular Volume 510.26
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 11.27
Molar Refractivity 135.87

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Created at
-
Updated at
15th Dec 2025