hexan-2-yl 3-methylbutanoate

Systemtic Name: hexan-2-yl 3-methylbutanoate Openeye Name: 1-methylpentyl 3-methylbutanoate CAS Name: 3-methylbutanoic acid hexan-2-yl ester IUPAC Name: hexan-2-yl 3-methylbutanoate Traditional Name: 3-methylbutyric acid 1-methylpentyl ester Formula: C11H22O2 MolecularWeight: 186.29118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)OC(=O)CC(C)C

Isomeric SMILES

CCCCC(C)OC(=O)CC(C)C

InChI

InChI=1S/C11H22O2/c1-5-6-7-10(4)13-11(12)8-9(2)3/h9-10H,5-8H2,1-4H3