Structure Database (LMSD)

Common Name
3,11-Dimethylpentacosane
Systematic Name
3,11-Dimethylpentacosane
Synonyms
LM ID
LMFA11000357
Formula
C27H56
Exact Mass
Calculate m/z
380.438201
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
Metoecus paradoxus (#433052)
Insecta (#50557)
Chemical Strategies of the Beetle Metoecus Paradoxus, Social Parasite of the Wasp Vespula Vulgaris.,
J Chem Ecol, 2015
Pubmed ID: 26615426

String Representations

InChiKey (Click to copy)
NAGZGURRYTWJLN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C27H56/c1-5-7-8-9-10-11-12-13-14-15-17-21-24-27(4)25-22-19-16-18-20-23-26(3)6-2/h26-27H,5-25H2,1-4H3
SMILES (Click to copy)
CCC(C)CCCCCCCC(C)CCCCCCCCCCCCCC

Other Databases

PubChem CID
6430054

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 0
Aromatic Rings 0
Rotatable Bonds 22
Van der Waals Molecular Volume 475.66
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 10.49
Molar Refractivity 126.63

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Created at
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Updated at
23rd Dec 2025