Structure Database (LMSD)

Common Name
12,13-EpOME(9)
Systematic Name
12,13-epoxy-9-octadecenoic acid
Synonyms
LM ID
LMFA02000276
Status
Active
Exact Mass
Calculate m/z
296.235145
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)
CCPPLLJZDQAOHD-DHZHZOJOSA-N
InChi (Click to copy)
InChI=1S/C18H32O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)/b11-8+
SMILES (Click to copy)
C(/CC1OC1CCCCC)=C\CCCCCCCC(=O)O

References

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 328.69
Topological Polar Surface Area 49.83
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 5.67
Molar Refractivity 87.54

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Created at
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Updated at
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