3-hexyl-5-methyl-4-oxidanyl-oxan-2-one

Systemtic Name: 3-hexyl-5-methyl-4-oxidanyl-oxan-2-one Openeye Name: 3-hexyl-4-hydroxy-5-methyl-tetrahydropyran-2-one CAS Name: 3-hexyl-4-hydroxy-5-methyl-2-oxanone IUPAC Name: 3-hexyl-4-hydroxy-5-methyloxan-2-one Traditional Name: 3-hexyl-4-hydroxy-5-methyl-tetrahydropyran-2-one Formula: C12H22O3 MolecularWeight: 214.30128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(C(COC1=O)C)O

Isomeric SMILES

CCCCCCC1C(C(COC1=O)C)O

InChI

InChI=1S/C12H22O3/c1-3-4-5-6-7-10-11(13)9(2)8-15-12(10)14/h9-11,13H,3-8H2,1-2H3