Structure Database (LMSD)
Common Name
Methyl 5-hexyl-2-Furanoctanoate
Systematic Name
Methyl 5-hexyl-2-Furanoctanoate
Synonyms
- 2-Furanoctanoic acid, 5-hexyl-, methyl ester
3D model of Methyl 5-hexyl-2-Furanoctanoate
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)
ZZSFTHVENQKCDJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H32O3/c1-3-4-5-9-12-17-15-16-18(22-17)13-10-7-6-8-11-14-19(20)21-2/h15-16H,3-14H2,1-2H3
SMILES (Click to copy)
O1C(CCCCCC)=CC=C1CCCCCCCC(OC)=O
References
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
1
Aromatic Rings
1
Rotatable Bonds
14
Van der Waals Molecular Volume
332.45
Topological Polar Surface Area
39.44
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
3
logP
5.46
Molar Refractivity
89.98
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Created at
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Updated at
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