Structure Database (LMSD)

Common Name
cis-6,7-Epoxy-2-methylheptadecane
Systematic Name
cis-6,7-Epoxy-2-methylheptadecane
Synonyms
LM ID
LMFA12000279
Formula
C18H36O
Exact Mass
Calculate m/z
268.276616
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
Lymantria monacha (#78897)
Insecta (#50557)
Comparison of the attractiveness of disparlure, sex pheromone of females of Porthetria dispar, its trans-isomer and females of Porthetria monacha for males of the latter species.,
Zool. Zhur, 1976

String Representations

InChiKey (Click to copy)
MYAXSLNSJQGASK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H36O/c1-4-5-6-7-8-9-10-11-14-17-18(19-17)15-12-13-16(2)3/h16-18H,4-15H2,1-3H3
SMILES (Click to copy)
CC(C)CCCC1OC1CCCCCCCCCC

Other Databases

PubChem CID
56936245

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 316.39
Topological Polar Surface Area 12.53
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.68
Molar Refractivity 85.60

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Created at
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Updated at
19th Dec 2025