Structure Database (LMSD)

Common Name
3,4-Epoxy-6Z,9Z-octadecadiene
Systematic Name
3,4-Epoxy-6Z,9Z-octadecadiene
Synonyms
LM ID
LMFA12000288
Formula
C18H32O
Exact Mass
Calculate m/z
264.245316
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Oxygenated hydrocarbons [FA12]

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Sex attractants of geometrid and noctuid moths: Chemical characterization and field test of monoepoxides of 6,9-dienes and related compounds.,
J Chem Ecol, 1995
Pubmed ID: 24234062

String Representations

InChiKey (Click to copy)
YBICCWVMVPFDAY-HDXUUTQWSA-N
InChi (Click to copy)
InChI=1S/C18H32O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-17(4-2)19-18/h11-12,14-15,17-18H,3-10,13,16H2,1-2H3/b12-11-,15-14-
SMILES (Click to copy)
CCC1OC1C/C=C\C/C=C\CCCCCCCC

Other Databases

PubChem CID
56936251

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 1
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 311.11
Topological Polar Surface Area 12.53
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.38
Molar Refractivity 85.48

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Created at
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Updated at
10th Oct 2025
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