Structure Database (LMSD)

Common Name
11-(3-methyl-5-propylfuran-2-yl)-undecanoic acid
Systematic Name
11-(5-propyl-3-methylfuran-2-yl)-undecanoic acid
Synonyms
  • 11M3
  • 3-methyl-5-propyl-2-furanundecanoic acid
LM ID
LMFA01150018
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)
XZOBJEOEOJXQBF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H32O3/c1-3-12-17-15-16(2)18(22-17)13-10-8-6-4-5-7-9-11-14-19(20)21/h15H,3-14H2,1-2H3,(H,20,21)
SMILES (Click to copy)
CCCC1=CC(C)=C(CCCCCCCCCCC(=O)O)O1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Phaeodactylum tricornutum (#2850)
Bacillariophyceae (#33849)
Furan fatty acids - Beneficial or harmful to health?,
Prog Lipid Res, 2017
Pubmed ID: 29051014

Other Databases

HMDB ID
CHEBI ID
PubChem CID

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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Updated at
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