2-(3,5-dimethyl-1-adamantyl)propan-2-yl 2-methylbutanoate

Systemtic Name: 2-(3,5-dimethyl-1-adamantyl)propan-2-yl 2-methylbutanoate Openeye Name: [1-(3,5-dimethyl-1-adamantyl)-1-methyl-ethyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid 2-(3,5-dimethyl-1-adamantyl)propan-2-yl ester IUPAC Name: 2-(3,5-dimethyl-1-adamantyl)propan-2-yl 2-methylbutanoate Traditional Name: 2-methylbutyric acid [1-(3,5-dimethyl-1-adamantyl)-1-methyl-ethyl] ester Formula: C20H34O2 MolecularWeight: 306.48276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34O2/c1-7-14(2)16(21)22-17(3,4)20-10-15-8-18(5,12-20)11-19(6,9-15)13-20/h14-15H,7-13H2,1-6H3