Structure Database (LMSD)
Common Name
5-heptylfuran-2-yl-heptanoic acid
Systematic Name
7-(5-heptylfuran-2-yl)-heptanoic acid
Synonyms
Main
Classification
Category
Main Class
Sub Class
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
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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