Structure Database (LMSD)

Common Name
6,7-Epoxy-9Z-octadecene
Systematic Name
6,7-Epoxy-9Z-octadecene
Synonyms
LM ID
LMFA12000285
Status
Active
Exact Mass
Calculate m/z
266.260965
Formula
C18H34O
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

String Representations

InChiKey (Click to copy)
COQRQSCRFMSUDY-OWBHPGMISA-N
InChi (Click to copy)
InChI=1S/C18H34O/c1-3-5-7-8-9-10-11-12-14-16-18-17(19-18)15-13-6-4-2/h12,14,17-18H,3-11,13,15-16H2,1-2H3/b14-12-
SMILES (Click to copy)
CCCCCC1OC1C/C=C\CCCCCCCC

References

Comments
Pherobase Semiochemicals

Other Databases

PubChem CID
56936248

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 313.75
Topological Polar Surface Area 12.53
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.60
Molar Refractivity 85.58

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Updated at
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