Structure Database (LMSD)

Common Name
3,4-Epoxy-6,9-octadecadiene
Systematic Name
3,4-Epoxy-6,9-octadecadiene
Synonyms
LM ID
LMFA12000288
Status
Active
Exact Mass
Calculate m/z
264.245315
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)
YBICCWVMVPFDAY-HDXUUTQWSA-N
InChi (Click to copy)
InChI=1S/C18H32O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-17(4-2)19-18/h11-12,14-15,17-18H,3-10,13,16H2,1-2H3/b12-11-,15-14-
SMILES (Click to copy)
CCC1OC1C/C=C\C/C=C\CCCCCCCC

References

Comments
Pherobase Semiochemicals

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 1
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 311.11
Topological Polar Surface Area 12.53
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.38
Molar Refractivity 85.48

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Created at
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Updated at
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