Structure Database (LMSD)

Common Name
5,7-Diethyl-9-methyl-3E,5E,7E,9E-tridecatetraene
Systematic Name
5,7-Diethyl-9-methyl-3E,5E,7E,9E-tridecatetraene
Synonyms
LM ID
LMFA11000057
Formula
C18H30
Exact Mass
Calculate m/z
246.234751
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
Carpophilus dimidiatus (#913117)
Insecta (#50557)
Aggregation pheromone ofCarpophilus dimidiatus (F.) (Coleoptera: Nitidulidae) and responses toCarpophilus pheromones in South Carolina.,
J Chem Ecol, 1995
Pubmed ID: 24233828

String Representations

InChiKey (Click to copy)
YPHOOIUBOFURLM-FHIIZRLJSA-N
InChi (Click to copy)
InChI=1S/C18H30/c1-6-10-12-16(5)14-18(9-4)15-17(8-3)13-11-7-2/h11-15H,6-10H2,1-5H3/b13-11+,16-12+,17-15+,18-14+
SMILES (Click to copy)
CC/C=C/C(/CC)=C/C(/CC)=C/C(/C)=C/CCC

Other Databases

PubChem CID
56936067

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 309.40
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 6.37
Molar Refractivity 84.84

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Created at
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Updated at
24th Jun 2025
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