hexyl ethanoate; 4-methylpentan-2-one

Systemtic Name: hexyl ethanoate; 4-methylpentan-2-one Openeye Name: hexyl acetate; 4-methylpentan-2-one CAS Name: acetic acid hexyl ester; 4-methyl-2-pentanone IUPAC Name: hexyl acetate; 4-methylpentan-2-one Traditional Name: acetic acid hexyl ester; 4-methylpentan-2-one Formula: C14H28O3 MolecularWeight: 244.37032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C.CC(C)CC(=O)C

Isomeric SMILES

CCCCCCOC(=O)C.CC(C)CC(=O)C

InChI

InChI=1S/C8H16O2.C6H12O/c1-3-4-5-6-7-10-8(2)9;1-5(2)4-6(3)7/h3-7H2,1-2H3;5H,4H2,1-3H3