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
Classification
References
Comments
Pherobase Semiochemicals
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Trogoderma glabrum
(#591391)
Insecta
(#50557)
Sex pheromone of the female dermestid beetleTrogoderma glabrum (Herbst),
J Chem Ecol, 1975
J Chem Ecol, 1975
DOI:
10.1007/BF00988834
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
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
-
Updated at
9th Apr 2025