heptan-2-yl pentanoate

Systemtic Name: heptan-2-yl pentanoate Openeye Name: 1-methylhexyl pentanoate CAS Name: pentanoic acid heptan-2-yl ester IUPAC Name: heptan-2-yl pentanoate Traditional Name: valeric acid 1-methylhexyl ester Formula: C12H24O2 MolecularWeight: 200.31776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)OC(=O)CCCC

Isomeric SMILES

CCCCCC(C)OC(=O)CCCC

InChI

InChI=1S/C12H24O2/c1-4-6-8-9-11(3)14-12(13)10-7-5-2/h11H,4-10H2,1-3H3