3-(1-adamantyl)pentan-3-yl 2,2-dimethylbutanoate

Systemtic Name: 3-(1-adamantyl)pentan-3-yl 2,2-dimethylbutanoate Openeye Name: [1-(1-adamantyl)-1-ethyl-propyl] 2,2-dimethylbutanoate CAS Name: 2,2-dimethylbutanoic acid 3-(1-adamantyl)pentan-3-yl ester IUPAC Name: 3-(1-adamantyl)pentan-3-yl 2,2-dimethylbutanoate Traditional Name: 2,2-dimethylbutyric acid [1-(1-adamantyl)-1-ethyl-propyl] ester Formula: C21H36O2 MolecularWeight: 320.50934

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)OC(CC)(CC)C12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CCC(C)(C)C(=O)OC(CC)(CC)C12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C21H36O2/c1-6-19(4,5)18(22)23-21(7-2,8-3)20-12-15-9-16(13-20)11-17(10-15)14-20/h15-17H,6-14H2,1-5H3