Structure Database (LMSD)
Common Name
4-heptanolide
Systematic Name
Dihydro-5-propylfuran-2(3H)-one
Synonyms
3D model of 4-heptanolide
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)
VLSVVMPLPMNWBH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H12O2/c1-2-3-6-4-5-7(8)9-6/h6H,2-5H2,1H3
SMILES (Click to copy)
O1C(CCC)CCC1=O
References
Comments
Pherobase Semiochemicals
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
9
Rings
1
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
132.24
Topological Polar Surface Area
28.37
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
1.78
Molar Refractivity
34.53
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Created at
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Updated at
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