heptyl 3-methyl-4-oxidanyl-pentanoate

Systemtic Name: heptyl 3-methyl-4-oxidanyl-pentanoate Openeye Name: heptyl 4-hydroxy-3-methyl-pentanoate CAS Name: 4-hydroxy-3-methylpentanoic acid heptyl ester IUPAC Name: heptyl 4-hydroxy-3-methylpentanoate Traditional Name: 4-hydroxy-3-methyl-valeric acid heptyl ester Formula: C13H26O3 MolecularWeight: 230.34374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)CC(C)C(C)O

Isomeric SMILES

CCCCCCCOC(=O)CC(C)C(C)O

InChI

InChI=1S/C13H26O3/c1-4-5-6-7-8-9-16-13(15)10-11(2)12(3)14/h11-12,14H,4-10H2,1-3H3