Structure Database (LMSD)

Common Name
5-heptylfuran-2-yl-heptanoic acid
Systematic Name
7-(5-heptylfuran-2-yl)-heptanoic acid
Synonyms
LM ID
LMFA01150041
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)
DIQFORWONKLMOZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H30O3/c1-2-3-4-5-8-11-16-14-15-17(21-16)12-9-6-7-10-13-18(19)20/h14-15H,2-13H2,1H3,(H,19,20)
SMILES (Click to copy)
C(CCCC)CCC1=CC=C(CCCCCCC(=O)O)O1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Furan fatty acids - Beneficial or harmful to health?,
Prog Lipid Res, 2017
Pubmed ID: 29051014

Other Databases

HMDB ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 1
Aromatic Rings 1
Rotatable Bonds 13
Van der Waals Molecular Volume 315.15
Topological Polar Surface Area 50.44
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 5.37
Molar Refractivity 85.60

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Updated at
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