ethyl pentanoate; 5-methylhexan-2-one

Systemtic Name: ethyl pentanoate; 5-methylhexan-2-one Openeye Name: ethyl pentanoate; 5-methylhexan-2-one CAS Name: 5-methyl-2-hexanone; pentanoic acid ethyl ester IUPAC Name: ethyl pentanoate; 5-methylhexan-2-one Traditional Name: 5-methylhexan-2-one; valeric acid ethyl ester Formula: C14H28O3 MolecularWeight: 244.37032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OCC.CC(C)CCC(=O)C

Isomeric SMILES

CCCCC(=O)OCC.CC(C)CCC(=O)C

InChI

InChI=1S/C7H14O2.C7H14O/c1-3-5-6-7(8)9-4-2;1-6(2)4-5-7(3)8/h3-6H2,1-2H3;6H,4-5H2,1-3H3