heptan-2-yl octanoate

Systemtic Name: heptan-2-yl octanoate Openeye Name: 1-methylhexyl octanoate CAS Name: octanoic acid heptan-2-yl ester IUPAC Name: heptan-2-yl octanoate Traditional Name: caprylic acid 1-methylhexyl ester Formula: C15H30O2 MolecularWeight: 242.3975

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC(C)CCCCC

Isomeric SMILES

CCCCCCCC(=O)OC(C)CCCCC

InChI

InChI=1S/C15H30O2/c1-4-6-8-9-11-13-15(16)17-14(3)12-10-7-5-2/h14H,4-13H2,1-3H3