3-methylbutyl 6-methyl-3-(3-methylbutyl)heptanoate

Systemtic Name: 3-methylbutyl 6-methyl-3-(3-methylbutyl)heptanoate Openeye Name: isopentyl 3-isopentyl-6-methyl-heptanoate CAS Name: 6-methyl-3-(3-methylbutyl)heptanoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 6-methyl-3-(3-methylbutyl)heptanoate Traditional Name: 3-isoamyl-6-methyl-enanthic acid isoamyl ester Formula: C18H36O2 MolecularWeight: 284.47724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CCC(C)C)CC(=O)OCCC(C)C

Isomeric SMILES

CC(C)CCC(CCC(C)C)CC(=O)OCCC(C)C

InChI

InChI=1S/C18H36O2/c1-14(2)7-9-17(10-8-15(3)4)13-18(19)20-12-11-16(5)6/h14-17H,7-13H2,1-6H3