Structure Database (LMSD)

Common Name
methyl 15,16-epoxy-9,12-octadecadienoate
Systematic Name
methyl 15,16-epoxy-9,12-octadecadienoate
Synonyms
LM ID
LMFA01070014
Status
Active
Exact Mass
Calculate m/z
308.235145
Formula
Abbrev


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)
WXOURJJDULGFAF-KNVWVLGRSA-N
InChi (Click to copy)
InChI=1S/C19H32O3/c1-3-17-18(22-17)15-13-11-9-7-5-4-6-8-10-12-14-16-19(20)21-2/h5,7,11,13,17-18H,3-4,6,8-10,12,14-16H2,1-2H3/b7-5+,13-11+
SMILES (Click to copy)
C(/C/C=C/CC1OC1CC)=C\CCCCCCCC(=O)OC

References

Other Databases

LIPIDBANK ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 1
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 343.35
Topological Polar Surface Area 38.83
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
logP 5.53
Molar Refractivity 91.83

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Created at
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Updated at
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