[(3S,5R)-2,2-dimethyl-5-oxidanyl-hexan-3-yl] butanoate

Systemtic Name: [(3S,5R)-2,2-dimethyl-5-oxidanyl-hexan-3-yl] butanoate Openeye Name: [(1S,3R)-1-tert-butyl-3-hydroxy-butyl] butanoate CAS Name: butanoic acid [(3S,5R)-5-hydroxy-2,2-dimethylhexan-3-yl] ester IUPAC Name: [(3S,5R)-5-hydroxy-2,2-dimethylhexan-3-yl] butanoate Traditional Name: butyric acid [(1S,3R)-1-tert-butyl-3-hydroxy-butyl] ester Formula: C12H24O3 MolecularWeight: 216.31716

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC(CC(C)O)C(C)(C)C

Isomeric SMILES

CCCC(=O)O[C@@H](C[C@@H](C)O)C(C)(C)C

InChI

InChI=1S/C12H24O3/c1-6-7-11(14)15-10(8-9(2)13)12(3,4)5/h9-10,13H,6-8H2,1-5H3/t9-,10+/m1/s1