Structure Database (LMSD)

Common Name
9,13-Dimethylnonacosane
Systematic Name
9,13-Dimethylnonacosane
Synonyms
LM ID
LMFA11000540
Formula
C31H64
Exact Mass
Calculate m/z
436.500801
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
Iridomyrmex purpureus (#561532)
Insecta (#50557)
Hydrocarbon constituents of three species of dolichoderine ants,
Insect Biochem, 1983

String Representations

InChiKey (Click to copy)
IHFOKUGZVRWBAV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C31H64/c1-5-7-9-11-13-14-15-16-17-18-19-20-22-24-27-31(4)29-25-28-30(3)26-23-21-12-10-8-6-2/h30-31H,5-29H2,1-4H3
SMILES (Click to copy)
CCCCCCCCC(C)CCCC(C)CCCCCCCCCCCCCCCC

Other Databases

PubChem CID
6430077

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 0
Aromatic Rings 0
Rotatable Bonds 26
Van der Waals Molecular Volume 544.86
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 12.05
Molar Refractivity 145.10

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Created at
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Updated at
12th Dec 2025