Structure Database (LMSD)

Common Name
10,13-Epoxy-11-methyloctadeca-10,12-dienoic acid
Systematic Name
9-(3-Methyl-5-pentylfuran-2-yl)nonanoic acid
Synonyms
  • 9-(3-methyl-5-pentylfuran-2-yl)-nonanoic acid
  • 3-Methyl-5-pentyl-2-furannonanoic acid
  • 9M5
LM ID
LMFA01150005
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)
TUQVXFOSXOCQCM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H32O3/c1-3-4-9-12-17-15-16(2)18(22-17)13-10-7-5-6-8-11-14-19(20)21/h15H,3-14H2,1-2H3,(H,20,21)
SMILES (Click to copy)
C(O)(=O)CCCCCCCCC1OC(CCCCC)=CC=1C

References

Other Databases

HMDB ID
CHEBI ID
PubChem CID
PlantFA ID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 1
Aromatic Rings 1
Rotatable Bonds 13
Van der Waals Molecular Volume 332.45
Topological Polar Surface Area 50.44
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 5.68
Molar Refractivity 90.33

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Created at
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Updated at
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