Structure Database (LMSD)
Common Name
5-(3-methyl-5-pentylfuran-2-yl)-pentanoic acid
Systematic Name
5-(5-pentyl-3-methylfuran-2-yl)-pentanoic acid
Synonyms
- 5M5
- 3-methyl-5-pentyl-2-furanpentanoic acid
3D model of 5-(3-methyl-5-pentylfuran-2-yl)-pentanoic 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)
OVQQXXHYNCJQNP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H24O3/c1-3-4-5-8-13-11-12(2)14(18-13)9-6-7-10-15(16)17/h11H,3-10H2,1-2H3,(H,16,17)
SMILES (Click to copy)
C(CC)CCC1=CC(C)=C(CCCCC(=O)O)O1
References
Calculated Physicochemical Properties
Heavy Atoms
18
Rings
1
Aromatic Rings
1
Rotatable Bonds
9
Van der Waals Molecular Volume
263.25
Topological Polar Surface Area
50.44
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
4.12
Molar Refractivity
71.86
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Created at
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Updated at
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