3-methylbutyl hexanoate

Systemtic Name: 3-methylbutyl hexanoate Openeye Name: isopentyl hexanoate CAS Name: hexanoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl hexanoate Traditional Name: hexanoic acid isoamyl ester Formula: C11H22O2 MolecularWeight: 186.29118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OCCC(C)C

Isomeric SMILES

CCCCCC(=O)OCCC(C)C

InChI

InChI=1S/C11H22O2/c1-4-5-6-7-11(12)13-9-8-10(2)3/h10H,4-9H2,1-3H3