Structure Database (LMSD)

Common Name
cis-6,7-epoxy-9Z-heptadecene
Systematic Name
cis-6,7-epoxy-9Z-heptadecene
Synonyms
LM ID
LMFA12000271
Status
Active
Exact Mass
Calculate m/z
252.245315
Formula
C17H32O
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)
DZBUIPPAEPQLKL-QBFSEMIESA-N
InChi (Click to copy)
InChI=1S/C17H32O/c1-3-5-7-8-9-10-11-13-15-17-16(18-17)14-12-6-4-2/h11,13,16-17H,3-10,12,14-15H2,1-2H3/b13-11-
SMILES (Click to copy)
CCCCCC1OC1C/C=C\CCCCCCC

References

Comments
Pherobase Semiochemicals

Other Databases

PubChem CID
56936239

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 1
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 296.45
Topological Polar Surface Area 12.53
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.21
Molar Refractivity 80.96

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Created at
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Updated at
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