(3S,5R,6R)-5-ethyl-3-hexyl-6-(hydroxymethyl)-1,4-dioxan-2-one

Systemtic Name: (3S,5R,6R)-5-ethyl-3-hexyl-6-(hydroxymethyl)-1,4-dioxan-2-one Openeye Name: (3S,5R,6R)-5-ethyl-3-hexyl-6-(hydroxymethyl)-1,4-dioxan-2-one CAS Name: (3S,5R,6R)-5-ethyl-3-hexyl-6-(hydroxymethyl)-1,4-dioxan-2-one IUPAC Name: (3S,5R,6R)-5-ethyl-3-hexyl-6-(hydroxymethyl)-1,4-dioxan-2-one Traditional Name: (3S,5R,6R)-5-ethyl-3-hexyl-6-methylol-1,4-dioxan-2-one Formula: C13H24O4 MolecularWeight: 244.32726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(=O)OC(C(O1)CC)CO

Isomeric SMILES

CCCCCC[C@H]1C(=O)O[C@@H]([C@H](O1)CC)CO

InChI

InChI=1S/C13H24O4/c1-3-5-6-7-8-11-13(15)17-12(9-14)10(4-2)16-11/h10-12,14H,3-9H2,1-2H3/t10-,11+,12-/m1/s1