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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:77929 - decan-2-one
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ChEBI Name
decan-2-one
ChEBI ID
CHEBI:77929
Definition
A methyl ketone that is decane in which the methylene hydrogens at position 2 are replaced by an oxo group.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Trudy
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Formula
C10H20O
Net Charge
0
Average Mass
156.26520
Monoisotopic Mass
156.15142
InChI
InChI=1S/C10H20O/c1-3-4-5-6-7-8-9-10(2)11/h3-9H2,1-2H3
InChIKey
ZAJNGDIORYACQU-UHFFFAOYSA-N
SMILES
CCCCCCCCC(C)=O
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
decan-2-one (
CHEBI:77929
)
has parent hydride
decane (
CHEBI:41808
)
decan-2-one (
CHEBI:77929
)
has role
plant metabolite (
CHEBI:76924
)
decan-2-one (
CHEBI:77929
)
is a
methyl ketone (
CHEBI:51867
)
IUPAC Name
decan-2-one
Synonyms
Sources
2-Decanone
ChEBI
Methyl n-octyl ketone
ChEBI
Methyl octyl ketone
ChEBI
n-C8H17COCH3
NIST Chemistry WebBook
Octyl methyl ketone
ChEBI
Manual Xref
Database
HMDB0031409
HMDB
View more database links
Registry Numbers
Types
Sources
1747463
Reaxys Registry Number
Reaxys
693-54-9
CAS Registry Number
NIST Chemistry WebBook
693-54-9
CAS Registry Number
ChemIDplus
Citations
Types
Sources
23543864
PubMed citation
Europe PMC
9378091
PubMed citation
Europe PMC
Last Modified
23 October 2015