Structure Database (LMSD)

Common Name
9S,10R-Epoxy-6Z-nonadecene
Systematic Name
9S,10R-Epoxy-6Z-nonadecene
Synonyms
LM ID
LMFA12000291
Formula
C19H36O
Exact Mass
Calculate m/z
280.276615
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

String Representations

InChiKey (Click to copy)
KZUXZKOKPZTLGK-LAJWLBFLSA-N
InChi (Click to copy)
InChI=1S/C19H36O/c1-3-5-7-9-11-13-15-17-19-18(20-19)16-14-12-10-8-6-4-2/h12,14,18-19H,3-11,13,15-17H2,1-2H3/b14-12-/t18-,19+/m0/s1
SMILES (Click to copy)
CCCCC/C=C\C[C@@H]1O[C@@H]1CCCCCCCCC

Other Databases

CHEBI ID
187496
PubChem CID
15708132

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 1
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 331.05
Topological Polar Surface Area 12.53
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.99
Molar Refractivity 90.19

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Created at
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Updated at
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