(2,2-dimethyl-3-oxidanyl-hexyl) butanoate

Systemtic Name: (2,2-dimethyl-3-oxidanyl-hexyl) butanoate Openeye Name: (3-hydroxy-2,2-dimethyl-hexyl) butanoate CAS Name: butanoic acid (3-hydroxy-2,2-dimethylhexyl) ester IUPAC Name: (3-hydroxy-2,2-dimethylhexyl) butanoate Traditional Name: butyric acid (3-hydroxy-2,2-dimethyl-hexyl) ester Formula: C12H24O3 MolecularWeight: 216.31716

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C)(C)COC(=O)CCC)O

Isomeric SMILES

CCCC(C(C)(C)COC(=O)CCC)O

InChI

InChI=1S/C12H24O3/c1-5-7-10(13)12(3,4)9-15-11(14)8-6-2/h10,13H,5-9H2,1-4H3