butyl 3,5,5-trimethylhexanoate

Systemtic Name: butyl 3,5,5-trimethylhexanoate Openeye Name: butyl 3,5,5-trimethylhexanoate CAS Name: 3,5,5-trimethylhexanoic acid butyl ester IUPAC Name: butyl 3,5,5-trimethylhexanoate Traditional Name: 3,5,5-trimethylhexanoic acid butyl ester Formula: C13H26O2 MolecularWeight: 214.34434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC(C)CC(C)(C)C

Isomeric SMILES

CCCCOC(=O)CC(C)CC(C)(C)C

InChI

InChI=1S/C13H26O2/c1-6-7-8-15-12(14)9-11(2)10-13(3,4)5/h11H,6-10H2,1-5H3