Structure database (LMSD)

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LM IDLMFA12000015
Common Name2-hydroxy-pentan-3-one
Systematic Name2-hydroxy-pentan-3-one
Synonyms-
Exact Mass
102.0681 (neutral)    Calculate m/z:
FormulaC5H10O2
CategoryFatty Acyls [FA]
Main ClassOxygenated hydrocarbons [FA12]
Sub Class-
PubChem CID521790
InChIKeyQMXCHEVUAIPIRM-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C5H10O2/c1-3-5(7)4(2)6/h4,6H,3H2,1-2H3
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SMILES
CC(O)C(=O)CC
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms7Rings0Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
110.00Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP0.63Molar
Refractivity
27.49