Structure Database (LMSD)

Common Name
gamma-octanolide
Systematic Name
5-Butyl-dihydrofuran-2(3H)-one
Synonyms
LM ID
LMFA07040016
Formula
Exact Mass
Calculate m/z
142.09938
Sum Composition
Status
Active


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

HMDB ID
CHEBI ID
PubChem CID

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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