Structure Database (LMSD)

Common Name
3,4-Epoxy-6Z,9Z-eicosadiene
Systematic Name
3,4-Epoxy-6Z,9Z-eicosadiene
Synonyms
LM ID
LMFA12000313
Formula
C20H36O
Exact Mass
Calculate m/z
292.276615
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)
JVTLYSCCWUIAHP-AUGURXLVSA-N
InChi (Click to copy)
InChI=1S/C20H36O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19(4-2)21-20/h13-14,16-17,19-20H,3-12,15,18H2,1-2H3/b14-13-,17-16-
SMILES (Click to copy)
CCC1OC1C/C=C\C/C=C\CCCCCCCCCC

Other Databases

PubChem CID
56936263

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 345.71
Topological Polar Surface Area 12.53
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 7.16
Molar Refractivity 94.72

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Created at
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Updated at
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