octan-2-yl pentanoate

Systemtic Name: octan-2-yl pentanoate Openeye Name: 1-methylheptyl pentanoate CAS Name: pentanoic acid octan-2-yl ester IUPAC Name: octan-2-yl pentanoate Traditional Name: valeric acid 1-methylheptyl ester Formula: C13H26O2 MolecularWeight: 214.34434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)CCCC

Isomeric SMILES

CCCCCCC(C)OC(=O)CCCC

InChI

InChI=1S/C13H26O2/c1-4-6-8-9-10-12(3)15-13(14)11-7-5-2/h12H,4-11H2,1-3H3