Structure Database (LMSD)
Common Name
10-(5-butylfuran-2-yl)-decanoic acid
Systematic Name
5-butyl-2-furandecanoic acid
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 10-(5-butylfuran-2-yl)-decanoic 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)
BHTVPEDIMFBQBB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H30O3/c1-2-3-11-16-14-15-17(21-16)12-9-7-5-4-6-8-10-13-18(19)20/h14-15H,2-13H2,1H3,(H,19,20)
SMILES (Click to copy)
C(C)CCC1=CC=C(CCCCCCCCCC(=O)O)O1
References
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
Admin
Created at
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Updated at
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