Structure Database (LMSD)

Common Name
6Z,9Z,12Z-Octadecatriene
Systematic Name
6Z,9Z,12Z-Octadecatriene
Synonyms
LM ID
LMFA11000174
Formula
C18H32
Exact Mass
Calculate m/z
248.250401
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
Hemithea (#572856)
Insecta (#50557)
Synthesis and chemical characterization of hydrocarbons with a 6,9,11-, 3,6,9,11-, or 1,3,6,9-polyene system, pheromone candidates in Lepidoptera.,
J Chem Ecol, 2008
Pubmed ID: 18581183

String Representations

InChiKey (Click to copy)
DTIVBBCEMQZIEQ-HCSMKPQFSA-N
InChi (Click to copy)
InChI=1S/C18H32/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h11-14,17-18H,3-10,15-16H2,1-2H3/b13-11-,14-12-,18-17-
SMILES (Click to copy)
CCCCC/C=C\C/C=C\C/C=C\CCCCC

Other Databases

PubChem CID
21629432

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 312.04
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 6.60
Molar Refractivity 84.94

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Created at
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Updated at
18th Nov 2025