Structure Database (LMSD)

OH O
Common Name
2-Hydroxyundecan-6-one
Systematic Name
2-Hydroxyundecan-6-one
Synonyms
LM ID
LMFA12000158
Formula
C11H22O2
Exact Mass
Calculate m/z
186.16198
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Oxygenated hydrocarbons [FA12]

String Representations

InChiKey (Click to copy)
XKEQSJOQGALSAQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H22O2/c1-3-4-5-8-11(13)9-6-7-10(2)12/h10,12H,3-9H2,1-2H3
SMILES (Click to copy)
CC(O)CCCC(=O)CCCCC

References

Other Databases

CHEBI ID
179393
PubChem CID
10058259

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 213.80
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 2.97
Molar Refractivity 55.19

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Created at
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Updated at
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