octyl 3-methylbutanoate

Systemtic Name: octyl 3-methylbutanoate Openeye Name: octyl 3-methylbutanoate CAS Name: 3-methylbutanoic acid octyl ester IUPAC Name: octyl 3-methylbutanoate Traditional Name: 3-methylbutyric acid octyl ester Formula: C13H26O2 MolecularWeight: 214.34434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CC(C)C

Isomeric SMILES

CCCCCCCCOC(=O)CC(C)C

InChI

InChI=1S/C13H26O2/c1-4-5-6-7-8-9-10-15-13(14)11-12(2)3/h12H,4-11H2,1-3H3