Structure Database (LMSD)

Common Name
cis-9,19-epoxy-3Z,6Z-heptadecadiene
Systematic Name
cis-9,19-epoxy-3Z,6Z-heptadecadiene
Synonyms
LM ID
LMFA12000272
Formula
C17H30O
Exact Mass
Calculate m/z
250.229665
Status
Active
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)
XKXHPEFHBVBMGF-DPTWWRMPSA-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/h5,7,11,13,16-17H,3-4,6,8-10,12,14-15H2,1-2H3/b7-5-,13-11-
SMILES (Click to copy)
CC/C=C\C/C=C\CC1OC1CCCCCCC

Other Databases

CHEBI ID
187719
PubChem CID
56936240

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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