O1-[2-(1-adamantyl)propan-2-yl] O5-(3-oxidanyl-1-adamantyl) 2-ethyl-4-methyl-pentanedioate

Systemtic Name: O1-[2-(1-adamantyl)propan-2-yl] O5-(3-oxidanyl-1-adamantyl) 2-ethyl-4-methyl-pentanedioate Openeye Name: O1-[1-(1-adamantyl)-1-methyl-ethyl] O5-(3-hydroxy-1-adamantyl) 2-ethyl-4-methyl-pentanedioate CAS Name: 2-ethyl-4-methylpentanedioic acid O1-[2-(1-adamantyl)propan-2-yl] ester O5-(3-hydroxy-1-adamantyl) ester IUPAC Name: 1-O-[2-(1-adamantyl)propan-2-yl] 5-O-(3-hydroxy-1-adamantyl) 2-ethyl-4-methylpentanedioate Traditional Name: 2-ethyl-4-methyl-glutaric acid O1-[1-(1-adamantyl)-1-methyl-ethyl] ester O5-(3-hydroxy-1-adamantyl) ester Formula: C31H48O5 MolecularWeight: 500.70982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)C(=O)OC12CC3CC(C1)CC(C3)(C2)O)C(=O)OC(C)(C)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCC(CC(C)C(=O)OC12CC3CC(C1)CC(C3)(C2)O)C(=O)OC(C)(C)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H48O5/c1-5-25(27(33)35-28(3,4)29-11-20-7-21(12-29)9-22(8-20)13-29)6-19(2)26(32)36-31-16-23-10-24(17-31)15-30(34,14-23)18-31/h19-25,34H,5-18H2,1-4H3