Hexane, 2,2,5-trimethyl- (CHEBI:229256)

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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	Hexane, 2,2,5-trimethyl-

ChEBI ID	CHEBI:229256

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

InChIKey

HHOSMYBYIHNXNO-UHFFFAOYSA-N

SMILES

C(CCC(C)C)(C)(C)C

Metabolite of Species	Details
Oryctolagus cuniculus (NCBI:txid9986)	Found in longissimus thoracis (BTO:0001651). See: MetaboLights Study

ChEBI Ontology
Outgoing	Hexane, 2,2,5-trimethyl- (CHEBI:229256) is a alkane (CHEBI:18310)

IUPAC Name

2,2,5-trimethylhexane