methyl (4S,6S)-4,6-dimethyloctanoate

Systemtic Name: methyl (4S,6S)-4,6-dimethyloctanoate Openeye Name: methyl (4S,6S)-4,6-dimethyloctanoate CAS Name: (4S,6S)-4,6-dimethyloctanoic acid methyl ester IUPAC Name: methyl (4S,6S)-4,6-dimethyloctanoate Traditional Name: (4S,6S)-4,6-dimethylcaprylic acid methyl ester Formula: C11H22O2 MolecularWeight: 186.29118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H22O2/c1-5-9(2)8-10(3)6-7-11(12)13-4/h9-10H,5-8H2,1-4H3/t9-,10-/m0/s1