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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:78816 - 5-hydroxyhexan-2-one
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ChEBI Name
5-hydroxyhexan-2-one
ChEBI ID
CHEBI:78816
Definition
A ketone that is hexan-2-one in which one of the hydrogens at position 5 is replaced by a hydroxy group.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C6H12O2
Net Charge
0
Average Mass
116.15830
Monoisotopic Mass
116.08373
InChI
InChI=1S/C6H12O2/c1-5(7)3-4-6(2)8/h5,7H,3-4H2,1-2H3
InChIKey
ZSDLLTJVENEIDW-UHFFFAOYSA-N
SMILES
CC(O)CCC(C)=O
ChEBI Ontology
Outgoing
5-hydroxyhexan-2-one (
CHEBI:78816
)
is a
ketone (
CHEBI:17087
)
5-hydroxyhexan-2-one (
CHEBI:78816
)
is a
secondary alcohol (
CHEBI:35681
)
Incoming
(5
R
)-5-hydroxyhexan-2-one (
CHEBI:78817
)
is a
5-hydroxyhexan-2-one (
CHEBI:78816
)
IUPAC Name
5-hydroxyhexan-2-one
Synonym
Source
5-hydroxy-2-hexanone
ChemIDplus
Registry Numbers
Types
Sources
1741900
Reaxys Registry Number
Reaxys
56745-61-0
CAS Registry Number
ChemIDplus
Citations
Types
Sources
10511266
PubMed citation
Europe PMC
2893702
PubMed citation
Europe PMC
6232975
PubMed citation
Europe PMC
Last Modified
12 June 2014