Structure Database (LMSD)
Common Name
10-(3,4-dimethyl-5-pentylfuran-2-yl)-decanoic acid
Systematic Name
10-(5-pentyl-3,4-dimethylfuran-2-yl)-decanoic acid
Synonyms
- 10D5
- 3,4-dimethyl-5-pentyl-2-furandecanoic acid
3D model of 10-(3,4-dimethyl-5-pentylfuran-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)
SWOLPSUMESXJAB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H36O3/c1-4-5-11-14-19-17(2)18(3)20(24-19)15-12-9-7-6-8-10-13-16-21(22)23/h4-16H2,1-3H3,(H,22,23)
SMILES (Click to copy)
C(CC)CCC1=C(C)C(C)=C(CCCCCCCCCC(=O)O)O1
References
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
1
Aromatic Rings
1
Rotatable Bonds
14
Van der Waals Molecular Volume
367.05
Topological Polar Surface Area
50.44
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
6.38
Molar Refractivity
99.69
Admin
Created at
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Updated at
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