3-methylbutyl 2-methylhexanoate

Systemtic Name: 3-methylbutyl 2-methylhexanoate Openeye Name: isopentyl 2-methylhexanoate CAS Name: 2-methylhexanoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-methylhexanoate Traditional Name: 2-methylhexanoic acid isoamyl ester Formula: C12H24O2 MolecularWeight: 200.31776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C(=O)OCCC(C)C

Isomeric SMILES

CCCCC(C)C(=O)OCCC(C)C

InChI

InChI=1S/C12H24O2/c1-5-6-7-11(4)12(13)14-9-8-10(2)3/h10-11H,5-9H2,1-4H3