propan-2-yl 2-ethanoyl-7-methyl-octanoate

Systemtic Name: propan-2-yl 2-ethanoyl-7-methyl-octanoate Openeye Name: isopropyl 2-acetyl-7-methyl-octanoate CAS Name: 2-acetyl-7-methyloctanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-acetyl-7-methyloctanoate Traditional Name: 2-acetyl-7-methyl-caprylic acid isopropyl ester Formula: C14H26O3 MolecularWeight: 242.35444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCC(C(=O)C)C(=O)OC(C)C

Isomeric SMILES

CC(C)CCCCC(C(=O)C)C(=O)OC(C)C

InChI

InChI=1S/C14H26O3/c1-10(2)8-6-7-9-13(12(5)15)14(16)17-11(3)4/h10-11,13H,6-9H2,1-5H3