methyl 2,2,6-trimethylheptanoate

Systemtic Name: methyl 2,2,6-trimethylheptanoate Openeye Name: methyl 2,2,6-trimethylheptanoate CAS Name: 2,2,6-trimethylheptanoic acid methyl ester IUPAC Name: methyl 2,2,6-trimethylheptanoate Traditional Name: 2,2,6-trimethylenanthic acid methyl ester Formula: C11H22O2 MolecularWeight: 186.29118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)(C)C(=O)OC

Isomeric SMILES

CC(C)CCCC(C)(C)C(=O)OC

InChI

InChI=1S/C11H22O2/c1-9(2)7-6-8-11(3,4)10(12)13-5/h9H,6-8H2,1-5H3