Structure Database (LMSD)

Common Name
9S,10R-Epoxy-3Z,6Z-octadecadiene
Systematic Name
9S,10R-Epoxy-3Z,6Z-octadecadiene
Synonyms
LM ID
LMFA12000286
Formula
Exact Mass
Calculate m/z
250.229665
Status
Active

Classification

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
CNYHVWZOWVYRKM-YNOGVTSOSA-N
InChi (Click to copy)
InChI=1S/C17H30O/c1-3-5-7-9-11-13-15-17-16(18-17)14-12-10-8-6-4-2/h4,6,10,12,16-17H,3,5,7-9,11,13-15H2,1-2H3/b6-4-,12-10-/t16-,17+/m0/s1
SMILES (Click to copy)
CCCCCCCC[C@H]1O[C@H]1C/C=C\C/C=C\C

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 1
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 293.81
Topological Polar Surface Area 12.53
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.99
Molar Refractivity 80.87

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Created at
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Updated at
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