2,2,4-Trimethylhexane (CHEBI:187668)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	2,2,4-Trimethylhexane

ChEBI ID	CHEBI:187668

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C9H20

Net Charge

Average Mass

128.259

Monoisotopic Mass

128.15650

InChI

InChI=1S/C9H20/c1-6-8(2)7-9(3,4)5/h8H,6-7H2,1-5H3

InChIKey

AFTPEBDOGXRMNQ-UHFFFAOYSA-N

SMILES

C(CC(CC)C)(C)(C)C

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study

ChEBI Ontology
Outgoing	2,2,4-Trimethylhexane (CHEBI:187668) is a alkane (CHEBI:18310)

IUPAC Name

2,2,4-trimethylhexane

Registry Number	Type	Source
16747-26-5	CAS Registry Number	ChemIDplus