Structure Database (LMSD)
Common Name
gamma-caprolactone
Systematic Name
5-Ethyldihydro-2(3H)-furanone
Synonyms
3D model of gamma-caprolactone
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)
JBFHTYHTHYHCDJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H10O2/c1-2-5-3-4-6(7)8-5/h5H,2-4H2,1H3
SMILES (Click to copy)
C1CC(CC)OC1=O
References
Comments
Pherobase Semiochemicals
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
8
Rings
1
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
114.94
Topological Polar Surface Area
28.37
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
1.39
Molar Refractivity
29.92
Admin
Created at
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Updated at
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