Structure Database (LMSD)

OH O
Common Name
2S-Hydroxydecan-3-one
Systematic Name
2S-Hydroxydecan-3-one
Synonyms
LM ID
LMFA12000149
Formula
C10H20O2
Exact Mass
Calculate m/z
172.14633
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)
WDQKPFOXMDAVIN-VIFPVBQESA-N
InChi (Click to copy)
InChI=1S/C10H20O2/c1-3-4-5-6-7-8-10(12)9(2)11/h9,11H,3-8H2,1-2H3/t9-/m0/s1
SMILES (Click to copy)
C[C@H](O)C(=O)CCCCCCC

References

Other Databases

CHEBI ID
179562
PubChem CID
56936214

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 196.50
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 2.58
Molar Refractivity 50.58

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Created at
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Updated at
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