Structure Database (LMSD)
Common Name
13-(3,4-dimethyl-5-pentylfuran-2-yl)-tridecanoic acid
Systematic Name
13-(5-pentyl-3,4-dimethylfuran-2-yl)-tridecanoic acid
Synonyms
- 13D5
3D model of 13-(3,4-dimethyl-5-pentylfuran-2-yl)-tridecanoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
RCISJPUCXSEESK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C24H42O3/c1-4-5-14-17-22-20(2)21(3)23(27-22)18-15-12-10-8-6-7-9-11-13-16-19-24(25)26/h4-19H2,1-3H3,(H,25,26)
SMILES (Click to copy)
C1(C)C(C)=C(CCCCCCCCCCCCC(=O)O)OC=1CCCCC
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Cladistia
(#1338366)
Furan fatty acids: occurrence, synthesis, and reactions. Are furan fatty acids responsible for the cardioprotective effects of a fish diet?,
Lipids, 2005
Lipids, 2005
Pubmed ID:
16296395
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
27
Rings
1
Aromatic Rings
1
Rotatable Bonds
17
Van der Waals Molecular Volume
418.95
Topological Polar Surface Area
50.44
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
7.55
Molar Refractivity
113.54
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Updated at
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