3-methylbutyl 2-ethylhexanoate

Systemtic Name: 3-methylbutyl 2-ethylhexanoate Openeye Name: isopentyl 2-ethylhexanoate CAS Name: 2-ethylhexanoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-ethylhexanoate Traditional Name: 2-ethylhexanoic acid isoamyl ester Formula: C13H26O2 MolecularWeight: 214.34434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H26O2/c1-5-7-8-12(6-2)13(14)15-10-9-11(3)4/h11-12H,5-10H2,1-4H3