5-methylhexyl octanoate

Systemtic Name: 5-methylhexyl octanoate Openeye Name: 5-methylhexyl octanoate CAS Name: octanoic acid 5-methylhexyl ester IUPAC Name: 5-methylhexyl octanoate Traditional Name: caprylic acid 5-methylhexyl ester Formula: C15H30O2 MolecularWeight: 242.3975

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCCCCC(C)C

Isomeric SMILES

CCCCCCCC(=O)OCCCCC(C)C

InChI

InChI=1S/C15H30O2/c1-4-5-6-7-8-12-15(16)17-13-10-9-11-14(2)3/h14H,4-13H2,1-3H3