O1-(1-adamantyl) O5-(oxan-3-yl) 2-ethyl-2,4,4-trimethyl-pentanedioate

Systemtic Name: O1-(1-adamantyl) O5-(oxan-3-yl) 2-ethyl-2,4,4-trimethyl-pentanedioate Openeye Name: O1-(1-adamantyl) O5-tetrahydropyran-3-yl 2-ethyl-2,4,4-trimethyl-pentanedioate CAS Name: 2-ethyl-2,4,4-trimethylpentanedioic acid O1-(1-adamantyl) ester O5-(3-oxanyl) ester IUPAC Name: 1-O-(1-adamantyl) 5-O-(oxan-3-yl) 2-ethyl-2,4,4-trimethylpentanedioate Traditional Name: 2-ethyl-2,4,4-trimethyl-glutaric acid O1-(1-adamantyl) ester O5-tetrahydropyran-3-yl ester Formula: C25H40O5 MolecularWeight: 420.5821

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(C)(C)C(=O)OC1CCCOC1)C(=O)OC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCC(C)(CC(C)(C)C(=O)OC1CCCOC1)C(=O)OC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H40O5/c1-5-24(4,16-23(2,3)21(26)29-20-7-6-8-28-15-20)22(27)30-25-12-17-9-18(13-25)11-19(10-17)14-25/h17-20H,5-16H2,1-4H3