methyl 4-methyloctanoate

Systemtic Name: methyl 4-methyloctanoate Openeye Name: methyl 4-methyloctanoate CAS Name: 4-methyloctanoic acid methyl ester IUPAC Name: methyl 4-methyloctanoate Traditional Name: 4-methylcaprylic acid methyl ester Formula: C10H20O2 MolecularWeight: 172.2646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)CCC(=O)OC

Isomeric SMILES

CCCCC(C)CCC(=O)OC

InChI

InChI=1S/C10H20O2/c1-4-5-6-9(2)7-8-10(11)12-3/h9H,4-8H2,1-3H3