1-adamantyl 2-ethyl-2-methyl-5-[3-methyl-2,5-bis(oxidanylidene)oxolan-3-yl]-4-(4-methylphenyl)pentanoate

Systemtic Name: 1-adamantyl 2-ethyl-2-methyl-5-[3-methyl-2,5-bis(oxidanylidene)oxolan-3-yl]-4-(4-methylphenyl)pentanoate Openeye Name: 1-adamantyl 2-ethyl-2-methyl-5-(3-methyl-2,5-dioxo-tetrahydrofuran-3-yl)-4-(p-tolyl)pentanoate CAS Name: 2-ethyl-2-methyl-5-(3-methyl-2,5-dioxo-3-oxolanyl)-4-(4-methylphenyl)pentanoic acid 1-adamantyl ester IUPAC Name: 1-adamantyl 2-ethyl-2-methyl-5-(3-methyl-2,5-dioxooxolan-3-yl)-4-(4-methylphenyl)pentanoate Traditional Name: 5-(2,5-diketo-3-methyl-tetrahydrofuran-3-yl)-2-ethyl-2-methyl-4-(p-tolyl)valeric acid 1-adamantyl ester Formula: C30H40O5 MolecularWeight: 480.6356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(CC1(CC(=O)OC1=O)C)C2=CC=C(C=C2)C)C(=O)OC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCC(C)(CC(CC1(CC(=O)OC1=O)C)C2=CC=C(C=C2)C)C(=O)OC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C30H40O5/c1-5-28(3,27(33)35-30-13-20-10-21(14-30)12-22(11-20)15-30)16-24(23-8-6-19(2)7-9-23)17-29(4)18-25(31)34-26(29)32/h6-9,20-22,24H,5,10-18H2,1-4H3