O1-(2-methyl-2-adamantyl) O5-[2-(5-oxidanylideneoxolan-3-yl)butan-2-yl] 2-ethyl-2,4,4-trimethyl-pentanedioate

Systemtic Name: O1-(2-methyl-2-adamantyl) O5-[2-(5-oxidanylideneoxolan-3-yl)butan-2-yl] 2-ethyl-2,4,4-trimethyl-pentanedioate Openeye Name: O1-(2-methyl-2-adamantyl) O5-[1-methyl-1-(5-oxotetrahydrofuran-3-yl)propyl] 2-ethyl-2,4,4-trimethyl-pentanedioate CAS Name: 2-ethyl-2,4,4-trimethylpentanedioic acid O1-(2-methyl-2-adamantyl) ester O5-[2-(5-oxo-3-oxolanyl)butan-2-yl] ester IUPAC Name: 1-O-(2-methyl-2-adamantyl) 5-O-[2-(5-oxooxolan-3-yl)butan-2-yl] 2-ethyl-2,4,4-trimethylpentanedioate Traditional Name: 4-ethyl-2,2,4-trimethyl-glutaric acid O1-[1-(5-ketotetrahydrofuran-3-yl)-1-methyl-propyl] ester O5-(2-methyl-2-adamantyl) ester Formula: C29H46O6 MolecularWeight: 490.67194

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(C)(C)C(=O)OC(C)(CC)C1CC(=O)OC1)C(=O)OC2(C3CC4CC(C3)CC2C4)C

Isomeric SMILES

CCC(C)(CC(C)(C)C(=O)OC(C)(CC)C1CC(=O)OC1)C(=O)OC2(C3CC4CC(C3)CC2C4)C

InChI

InChI=1S/C29H46O6/c1-8-27(5,25(32)35-29(7)20-11-18-10-19(13-20)14-21(29)12-18)17-26(3,4)24(31)34-28(6,9-2)22-15-23(30)33-16-22/h18-22H,8-17H2,1-7H3