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
LM ID
LMFA01150006
Status
Active
Exact Mass
Calculate m/z
308.235145
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

Other Databases

PubChem CID
PlantFA ID

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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