Structure Database (LMSD)

O O
Common Name
11-undecanolactone
Systematic Name
11-undecanolactone
Synonyms
LM ID
LMFA07040001
Formula
C11H20O2
Exact Mass
Calculate m/z
184.14633
Sum Composition
FA 11:1
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]

String Representations

InChiKey (Click to copy)
MVOSYKNQRRHGKX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H20O2/c12-11-9-7-5-3-1-2-4-6-8-10-13-11/h1-10H2
SMILES (Click to copy)
C1CCC(=O)OCCCCCCC1

References

Other Databases

KEGG ID
C13823
CHEBI ID
34136
PubChem CID
74409

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 1
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 201.44
Topological Polar Surface Area 28.37
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.34
Molar Refractivity 53.00

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Created at
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Updated at
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