3-methylbutan-2-yl 2-ethylhexanoate

Systemtic Name: 3-methylbutan-2-yl 2-ethylhexanoate Openeye Name: 1,2-dimethylpropyl 2-ethylhexanoate CAS Name: 2-ethylhexanoic acid 3-methylbutan-2-yl ester IUPAC Name: 3-methylbutan-2-yl 2-ethylhexanoate Traditional Name: 2-ethylhexanoic acid 1,2-dimethylpropyl ester Formula: C13H26O2 MolecularWeight: 214.34434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H26O2/c1-6-8-9-12(7-2)13(14)15-11(5)10(3)4/h10-12H,6-9H2,1-5H3