Structure Database (LMSD)

Common Name
11-(3-methyl-5-pentylfuran-2-yl)-undecanoic acid
Systematic Name
11-(5-pentyl-3-methylfuran-2-yl)-undecanoic acid
Synonyms
  • 11M5
  • MeF(11,5)
  • 3-methyl-5-pentyl-2-furanundecanoic acid
LM ID
LMFA01150013
Status
Active
Exact Mass
Calculate m/z
336.266445
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)
QDTBMEGPXZUECM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H36O3/c1-3-4-11-14-19-17-18(2)20(24-19)15-12-9-7-5-6-8-10-13-16-21(22)23/h17H,3-16H2,1-2H3,(H,22,23)
SMILES (Click to copy)
C(CC)CCC1=CC(C)=C(CCCCCCCCCCC(=O)O)O1

References

Reference
Furan fatty acids: Occurrence, synthesis, and reactions. Are furan fatty acids responsible for the cardioprotective effects of a fish diet? Gerhard Spiteller. Lipids, Volume 40, Issue 8, August 2005. pp 755–771.

https://link.springer.com/article/10.1007/s11745-005-1438-5

Other Databases

HMDB ID
CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 1
Aromatic Rings 1
Rotatable Bonds 15
Van der Waals Molecular Volume 367.05
Topological Polar Surface Area 50.44
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 6.46
Molar Refractivity 99.57

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Updated at
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