2S,4R-Dimethyl-5S-hexanolide (CHEBI:180303)

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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	2S,4R-Dimethyl-5S-hexanolide

ChEBI ID	CHEBI:180303

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C8H14O2

Net Charge

Average Mass

142.198

Monoisotopic Mass

142.09938

InChI

InChI=1S/C8H14O2/c1-5-4-6(2)8(9)10-7(5)3/h5-7H,4H2,1-3H3/t5-,6+,7+/m1/s1

InChIKey

VKOQCQOCLWZTTK-VQVTYTSYSA-N

SMILES

O1[C@H]([C@@H](C[C@@H](C1=O)C)C)C

ChEBI Ontology
Outgoing	2S,4R-Dimethyl-5S-hexanolide (CHEBI:180303) is a δ-lactone (CHEBI:18946)

IUPAC Name

(3S,5R,6S)-3,5,6-trimethyloxan-2-one