Structure Database (LMSD)

Common Name
9-(3,4-dimethyl-5-propylfuran-2-yl)-nonanoic acid
Systematic Name
9-(5-propyl-3,4-dimethylfuran-2-yl)-nonanoic acid
Synonyms
  • 9D3
LM ID
LMFA01150009
Status
Active
Exact Mass
Calculate m/z
294.219495
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)
NMZGYZMOQZXEOU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H30O3/c1-4-11-16-14(2)15(3)17(21-16)12-9-7-5-6-8-10-13-18(19)20/h4-13H2,1-3H3,(H,19,20)
SMILES (Click to copy)
CCCC1=C(C)C(C)=C(CCCCCCCCC(=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
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings 1
Rotatable Bonds 11
Van der Waals Molecular Volume 315.15
Topological Polar Surface Area 50.44
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 5.21
Molar Refractivity 85.84

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Updated at
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