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
C18H32O
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)
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
56936251

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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Updated at
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