methyl 5-methyloctanoate

Systemtic Name: methyl 5-methyloctanoate Openeye Name: methyl 5-methyloctanoate CAS Name: 5-methyloctanoic acid methyl ester IUPAC Name: methyl 5-methyloctanoate Traditional Name: 5-methylcaprylic acid methyl ester Formula: C10H20O2 MolecularWeight: 172.2646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CCCC(=O)OC

Isomeric SMILES

CCCC(C)CCCC(=O)OC

InChI

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