pentan-2-yl octanoate

Systemtic Name: pentan-2-yl octanoate Openeye Name: 1-methylbutyl octanoate CAS Name: octanoic acid pentan-2-yl ester IUPAC Name: pentan-2-yl octanoate Traditional Name: caprylic acid 1-methylbutyl ester Formula: C13H26O2 MolecularWeight: 214.34434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC(C)CCC

Isomeric SMILES

CCCCCCCC(=O)OC(C)CCC

InChI

InChI=1S/C13H26O2/c1-4-6-7-8-9-11-13(14)15-12(3)10-5-2/h12H,4-11H2,1-3H3