Structure Database (LMSD)

Common Name
9,10-Epoxyoctadecane
Systematic Name
9,10-Epoxyoctadecane
Synonyms
LM ID
LMFA12000289
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
Amblyopone (#219764)
Insecta (#50557)
Comparative survey of abdominal gland secretions of the ant subfamily Ponerinae.,
J Chem Ecol, 2003
Pubmed ID: 12647856

String Representations

InChiKey (Click to copy)
WAEWJBWJSRGWFY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H36O/c1-3-5-7-9-11-13-15-17-18(19-17)16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3
SMILES (Click to copy)
CCCCCCCCC1OC1CCCCCCCC

Other Databases

PubChem CID
4621500

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 1
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 316.39
Topological Polar Surface Area 12.53
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.83
Molar Refractivity 85.67

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Created at
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Updated at
22nd Mar 2024