Structure Database (LMSD)

Common Name
3,7,11-Trimethylnonacosane
Systematic Name
3,7,11-Trimethylnonacosane
Synonyms
LM ID
LMFA11000374
Formula
C32H66
Exact Mass
Calculate m/z
450.516451
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
Eurytoma maslovskii (#3396009)
Insecta (#50557)
Pheromone synthesis. Part 259: Synthesis of seven methyl-branched hydrocarbons as the pheromone candidates for female Korean apricot wasp, Eurytoma maslovskii,
Tetrahedron, 2016

String Representations

InChiKey (Click to copy)
GQQCWHAYEUVGOI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C32H66/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-31(4)28-24-29-32(5)27-23-26-30(3)7-2/h30-32H,6-29H2,1-5H3
SMILES (Click to copy)
CCC(C)CCCC(C)CCCC(C)CCCCCCCCCCCCCCCCCC

Other Databases

PubChem CID
6431067

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 0
Aromatic Rings 0
Rotatable Bonds 26
Van der Waals Molecular Volume 562.16
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 12.30
Molar Refractivity 149.65

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Created at
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Updated at
20th Oct 2025