4-methylpentyl octanoate

Systemtic Name: 4-methylpentyl octanoate Openeye Name: isohexyl octanoate CAS Name: octanoic acid 4-methylpentyl ester IUPAC Name: 4-methylpentyl octanoate Traditional Name: caprylic acid isohexyl ester Formula: C14H28O2 MolecularWeight: 228.37092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCCCC(C)C

Isomeric SMILES

CCCCCCCC(=O)OCCCC(C)C

InChI

InChI=1S/C14H28O2/c1-4-5-6-7-8-11-14(15)16-12-9-10-13(2)3/h13H,4-12H2,1-3H3