Structure Database (LMSD)

Common Name
5,9-Dimethylpentadecane
Systematic Name
5,9-Dimethylpentadecane
Synonyms
LM ID
LMFA11000450
Formula
C17H36
Exact Mass
Calculate m/z
240.281701
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
Leucoptera coffeella (#1178041)
Insecta (#50557)
Simple Synthesis of 5,9-Dimethylated Long-Chain Alkanes, the Sex Pheromones of Leaf Miner Moths,
Biosci Biotechnol Biochem, 2000

String Representations

InChiKey (Click to copy)
XTTUZCLEOCTJKO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H36/c1-5-7-9-10-13-17(4)15-11-14-16(3)12-8-6-2/h16-17H,5-15H2,1-4H3
SMILES (Click to copy)
CCCCC(C)CCCC(C)CCCCCC

Other Databases

PubChem CID
14278202

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 302.66
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 6.59
Molar Refractivity 80.46

Admin

Created at
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Updated at
16th Dec 2025