Structure Database (LMSD)

O O O
Common Name
3-acetyl-3-methyldihydrofuran-2(3H)-one
Systematic Name
3-acetyl-3-methyldihydrofuran-2(3H)-one
Synonyms
LM ID
LMFA07040006
Formula
C7H10O3
Exact Mass
Calculate m/z
142.062995
Sum Composition
FA 7:2;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Lactones [FA0704]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]
Oxo fatty acids [FA0106]

String Representations

InChiKey (Click to copy)
VKDGCPFTXXDWQJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C7H10O3/c1-5(8)7(2)3-4-10-6(7)9/h3-4H2,1-2H3
SMILES (Click to copy)
C1COC(=O)C1(C)C(=O)C

References

Comments
Pherobase Semiochemicals

Other Databases

CHEBI ID
187182
PubChem CID
79144

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 1
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 138.39
Topological Polar Surface Area 45.44
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
logP 0.81
Molar Refractivity 34.85

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Created at
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Updated at
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