Structure Database (LMSD)
Common Name
gamma-octanolide
Systematic Name
5-Butyl-dihydrofuran-2(3H)-one
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of gamma-octanolide
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
IPBFYZQJXZJBFQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H14O2/c1-2-3-4-7-5-6-8(9)10-7/h7H,2-6H2,1H3
SMILES (Click to copy)
C1(OC(CCCC)CC1)=O
References
Comments
Pherobase Semiochemicals
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
1
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
149.54
Topological Polar Surface Area
28.37
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
2.17
Molar Refractivity
39.15
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Created at
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Updated at
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