Structure Database (LMSD)
Common Name
9-(5-pentylfuran-2-yl)-nonanoic acid
Systematic Name
5-pentyl-2-furannonanoic acid
Synonyms
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
BJTONYHCPUUWFX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H30O3/c1-2-3-8-11-16-14-15-17(21-16)12-9-6-4-5-7-10-13-18(19)20/h14-15H,2-13H2,1H3,(H,19,20)
SMILES (Click to copy)
C(CC)CCC1=CC=C(CCCCCCCCC(=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
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Created at
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Updated at
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