[(2S)-2-methyl-3-oxidanyl-propyl] 3,7-dimethyloctanoate

Systemtic Name: [(2S)-2-methyl-3-oxidanyl-propyl] 3,7-dimethyloctanoate Openeye Name: [(2S)-3-hydroxy-2-methyl-propyl] 3,7-dimethyloctanoate CAS Name: 3,7-dimethyloctanoic acid [(2S)-3-hydroxy-2-methylpropyl] ester IUPAC Name: [(2S)-3-hydroxy-2-methylpropyl] 3,7-dimethyloctanoate Traditional Name: 3,7-dimethylcaprylic acid [(2S)-3-hydroxy-2-methyl-propyl] ester Formula: C14H28O3 MolecularWeight: 244.37032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)CC(=O)OCC(C)CO

Isomeric SMILES

C[C@@H](CO)COC(=O)CC(C)CCCC(C)C

InChI

InChI=1S/C14H28O3/c1-11(2)6-5-7-12(3)8-14(16)17-10-13(4)9-15/h11-13,15H,5-10H2,1-4H3/t12?,13-/m0/s1