Structure Database (LMSD)

Common Name
9S,10R-Epoxy-6Z-octadecene
Systematic Name
9S,10R-Epoxy-6Z-octadecene
Synonyms
LM ID
LMFA12000284
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
Phthonandria atrilineata (#339843)
Insecta (#50557)
Sex phermone components of mulberry looper,Hemerophila atrilineata butler (lepidoptera: Geometridae).,
J Chem Ecol, 1996
Pubmed ID: 24227302

String Representations

InChiKey (Click to copy)
ZKCKHRAPIWMJMM-HULPXVQOSA-N
InChi (Click to copy)
InChI=1S/C18H32O/c1-3-5-7-9-11-13-15-17-18(19-17)16-14-12-10-8-6-4-2/h5,7,11,13,17-18H,3-4,6,8-10,12,14-16H2,1-2H3/b7-5-,13-11-/t17-,18+/m1/s1
SMILES (Click to copy)
CCCCCCCC[C@@H]1O[C@@H]1C/C=C\C/C=C\CC

Other Databases

PubChem CID
56936247

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
7th Jul 2025
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