3-Methylhexan-2-ol (CHEBI:179174)

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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-Methylhexan-2-ol

ChEBI ID	CHEBI:179174

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C7H16O

Net Charge

Average Mass

116.204

Monoisotopic Mass

116.12012

InChI

InChI=1S/C7H16O/c1-4-5-6(2)7(3)8/h6-8H,4-5H2,1-3H3

InChIKey

IRLSKJITMWPWNY-UHFFFAOYSA-N

SMILES

OC(C(CCC)C)C

ChEBI Ontology
Outgoing	3-Methylhexan-2-ol (CHEBI:179174) is a secondary alcohol (CHEBI:35681)

IUPAC Name

3-methylhexan-2-ol

Registry Number	Type	Source
2313-65-7	CAS Registry Number	ChemIDplus