[(3S,4R,5S)-2,4-dimethyl-5-oxidanyl-heptan-3-yl] 2-methylpropanoate

Systemtic Name: [(3S,4R,5S)-2,4-dimethyl-5-oxidanyl-heptan-3-yl] 2-methylpropanoate Openeye Name: [(1S,2R,3S)-3-hydroxy-1-isopropyl-2-methyl-pentyl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [(3S,4R,5S)-5-hydroxy-2,4-dimethylheptan-3-yl] ester IUPAC Name: [(3S,4R,5S)-5-hydroxy-2,4-dimethylheptan-3-yl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [(1S,2R,3S)-3-hydroxy-1-isopropyl-2-methyl-pentyl] ester Formula: C13H26O3 MolecularWeight: 230.34374

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)C(C(C)C)OC(=O)C(C)C)O

Isomeric SMILES

CC[C@@H]([C@@H](C)[C@H](C(C)C)OC(=O)C(C)C)O

InChI

InChI=1S/C13H26O3/c1-7-11(14)10(6)12(8(2)3)16-13(15)9(4)5/h8-12,14H,7H2,1-6H3/t10-,11+,12+/m1/s1