Structure Database (LMSD)

Common Name
Dihydrofuran-2(3H)-one
Systematic Name
Dihydrofuran-2(3H)-one
Synonyms
LM ID
LMFA07040004
Formula
C4H6O2
Exact Mass
Calculate m/z
86.03678
Sum Composition
FA 4:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Lactones [FA0704]

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
YEJRWHAVMIAJKC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2
SMILES (Click to copy)
C1(OCCC1)=O

Other Databases

KEGG ID
C01770
HMDB ID
HMDB0000549
CHEBI ID
42639
PubChem CID
7302
Cayman ID
18706
PDB ID
GBL
GuidePharm ID
5462

Calculated Physicochemical Properties

Heavy Atoms 6
Rings 1
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 80.34
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 0.61
Molar Refractivity 20.68

Admin

Created at
-
Updated at
-