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
Status
Active
Exact Mass
Calculate m/z
250.229665
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

References

Comments
Pherobase Semiochemicals

Other Databases

CHEBI ID
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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