(3-methyl-4-oxidanyl-butan-2-yl) octanoate

Systemtic Name: (3-methyl-4-oxidanyl-butan-2-yl) octanoate Openeye Name: (3-hydroxy-1,2-dimethyl-propyl) octanoate CAS Name: octanoic acid (4-hydroxy-3-methylbutan-2-yl) ester IUPAC Name: (4-hydroxy-3-methylbutan-2-yl) octanoate Traditional Name: caprylic acid (3-hydroxy-1,2-dimethyl-propyl) ester Formula: C13H26O3 MolecularWeight: 230.34374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC(C)C(C)CO

Isomeric SMILES

CCCCCCCC(=O)OC(C)C(C)CO

InChI

InChI=1S/C13H26O3/c1-4-5-6-7-8-9-13(15)16-12(3)11(2)10-14/h11-12,14H,4-10H2,1-3H3