O1-[2-(1-adamantyl)propan-2-yl] O5-tert-butyl 2-ethyl-2,4,4-trimethyl-pentanedioate

Systemtic Name: O1-[2-(1-adamantyl)propan-2-yl] O5-tert-butyl 2-ethyl-2,4,4-trimethyl-pentanedioate Openeye Name: O1-[1-(1-adamantyl)-1-methyl-ethyl] O5-tert-butyl 2-ethyl-2,4,4-trimethyl-pentanedioate CAS Name: 2-ethyl-2,4,4-trimethylpentanedioic acid O1-[2-(1-adamantyl)propan-2-yl] ester O5-tert-butyl ester IUPAC Name: 1-O-[2-(1-adamantyl)propan-2-yl] 5-O-tert-butyl 2-ethyl-2,4,4-trimethylpentanedioate Traditional Name: 2-ethyl-2,4,4-trimethyl-glutaric acid O1-[1-(1-adamantyl)-1-methyl-ethyl] ester O5-tert-butyl ester Formula: C27H46O4 MolecularWeight: 434.65174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H46O4/c1-10-26(9,17-24(5,6)21(28)30-23(2,3)4)22(29)31-25(7,8)27-14-18-11-19(15-27)13-20(12-18)16-27/h18-20H,10-17H2,1-9H3