3-methylbutyl octanoate

Systemtic Name: 3-methylbutyl octanoate Openeye Name: isopentyl octanoate CAS Name: octanoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl octanoate Traditional Name: caprylic acid isoamyl ester Formula: C13H26O2 MolecularWeight: 214.34434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCCC(C)C

Isomeric SMILES

CCCCCCCC(=O)OCCC(C)C

InChI

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