O1-tert-butyl O5-(3,5-dimethyl-1-adamantyl) 4-ethyl-2,2-dimethyl-pentanedioate

Systemtic Name: O1-tert-butyl O5-(3,5-dimethyl-1-adamantyl) 4-ethyl-2,2-dimethyl-pentanedioate Openeye Name: O1-tert-butyl O5-(3,5-dimethyl-1-adamantyl) 4-ethyl-2,2-dimethyl-pentanedioate CAS Name: 4-ethyl-2,2-dimethylpentanedioic acid O1-tert-butyl ester O5-(3,5-dimethyl-1-adamantyl) ester IUPAC Name: 1-O-tert-butyl 5-O-(3,5-dimethyl-1-adamantyl) 4-ethyl-2,2-dimethylpentanedioate Traditional Name: 4-ethyl-2,2-dimethyl-glutaric acid O1-tert-butyl ester O5-(3,5-dimethyl-1-adamantyl) ester Formula: C25H42O4 MolecularWeight: 406.59858

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)(C)C(=O)OC(C)(C)C)C(=O)OC12CC3CC(C1)(CC(C3)(C2)C)C

Isomeric SMILES

CCC(CC(C)(C)C(=O)OC(C)(C)C)C(=O)OC12CC3CC(C1)(CC(C3)(C2)C)C

InChI

InChI=1S/C25H42O4/c1-9-18(13-22(5,6)20(27)29-21(2,3)4)19(26)28-25-12-17-10-23(7,15-25)14-24(8,11-17)16-25/h17-18H,9-16H2,1-8H3