[(2R,3S)-1-oxidanyl-3-propyl-heptan-2-yl] 2,2-dimethylpropanoate

Systemtic Name: [(2R,3S)-1-oxidanyl-3-propyl-heptan-2-yl] 2,2-dimethylpropanoate Openeye Name: [(1R,2S)-1-(hydroxymethyl)-2-propyl-hexyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(2R,3S)-1-hydroxy-3-propylheptan-2-yl] ester IUPAC Name: [(2R,3S)-1-hydroxy-3-propylheptan-2-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(1R,2S)-1-methylol-2-propyl-hexyl] ester Formula: C15H30O3 MolecularWeight: 258.3969

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)C(CO)OC(=O)C(C)(C)C

Isomeric SMILES

CCCC[C@H](CCC)[C@H](CO)OC(=O)C(C)(C)C

InChI

InChI=1S/C15H30O3/c1-6-8-10-12(9-7-2)13(11-16)18-14(17)15(3,4)5/h12-13,16H,6-11H2,1-5H3/t12-,13-/m0/s1