3,5,5-Trimethyl-1-hexanol (CHEBI:178388)

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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	3,5,5-Trimethyl-1-hexanol

ChEBI ID	CHEBI:178388

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

Submitter	MetaboLights

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Formula

C9H20O

Net Charge

Average Mass

144.258

Monoisotopic Mass

144.15142

InChI

InChI=1S/C9H20O/c1-8(5-6-10)7-9(2,3)4/h8,10H,5-7H2,1-4H3

InChIKey

BODRLKRKPXBDBN-UHFFFAOYSA-N

SMILES

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

ChEBI Ontology
Outgoing	3,5,5-Trimethyl-1-hexanol (CHEBI:178388) is a aliphatic alcohol (CHEBI:2571)

IUPAC Name

3,5,5-trimethylhexan-1-ol

Registry Number	Type	Source
3452-97-9	CAS Registry Number	ChemIDplus