Structure Database (LMSD)
Common Name
15-(3-methyl-5-pentylfuran-2-yl)-pentadecanoic acid
Systematic Name
15-(5-pentyl-3-methylfuran-2-yl)-pentadecanoic acid
Synonyms
- 15M5
- 3-methyl-5-pentyl-2-furanpentadecanoic acid
3D model of 15-(3-methyl-5-pentylfuran-2-yl)-pentadecanoic 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)
ZXUFZNDRPGKIFV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H44O3/c1-3-4-15-18-23-21-22(2)24(28-23)19-16-13-11-9-7-5-6-8-10-12-14-17-20-25(26)27/h21H,3-20H2,1-2H3,(H,26,27)
SMILES (Click to copy)
C(CC)CCC1=CC(C)=C(CCCCCCCCCCCCCCC(=O)O)O1
References
Calculated Physicochemical Properties
Heavy Atoms
28
Rings
1
Aromatic Rings
1
Rotatable Bonds
19
Van der Waals Molecular Volume
436.25
Topological Polar Surface Area
50.44
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
8.02
Molar Refractivity
118.03
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Created at
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Updated at
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