1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;bis(2,3-dimethylbicyclo[2.2.1]heptane);bis(3,4-dimethyloxolane-2,5-dione);(2-ethyl-2-adamantyl) 2-methylbutanoate;2-(4-methyl-2-oxocyclohexyl)propan-2-yl 2-methylbutanoate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylbutanoate

C100H159NO21 — CID 159482674

About 1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;bis(2,3-dimethylbicyclo[2.2.1]heptane);bis(3,4-dimethyloxolane-2,5-dione);(2-ethyl-2-adamantyl) 2-methylbutanoate;2-(4-methyl-2-oxocyclohexyl)propan-2-yl 2-methylbutanoate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylbutanoate

1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;bis(2,3-dimethylbicyclo[2.2.1]heptane);bis(3,4-dimethyloxolane-2,5-dione);(2-ethyl-2-adamantyl) 2-methylbutanoate;2-(4-methyl-2-oxocyclohexyl)propan-2-yl 2-methylbutanoate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylbutanoate (PubChem CID 159482674) has the molecular formula C100H159NO21 and a molecular weight of 1711.36 g/mol. Its IUPAC name is 1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;bis(2,3-dimethylbicyclo[2.2.1]heptane);bis(3,4-dimethyloxolane-2,5-dione);(2-ethyl-2-adamantyl) 2-methylbutanoate;2-(4-methyl-2-oxocyclohexyl)propan-2-yl 2-methylbutanoate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylbutanoate.

Molecular Properties

• Compound Name: 1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;bis(2,3-dimethylbicyclo[2.2.1]heptane);bis(3,4-dimethyloxolane-2,5-dione);(2-ethyl-2-adamantyl) 2-methylbutanoate;2-(4-methyl-2-oxocyclohexyl)propan-2-yl 2-methylbutanoate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylbutanoate
• PubChem CID: 159482674
• Molecular Formula: C100H159NO21
• Molecular Weight: 1711.36 g/mol
• Exact Mass: 1710.14
• IUPAC Name: 1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;bis(2,3-dimethylbicyclo[2.2.1]heptane);bis(3,4-dimethyloxolane-2,5-dione);(2-ethyl-2-adamantyl) 2-methylbutanoate;2-(4-methyl-2-oxocyclohexyl)propan-2-yl 2-methylbutanoate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylbutanoate
• SMILES: CC1C(=O)N(C2CCCCC2)C(=O)C1C.CC1C(=O)OC(=O)C1C.CC1C(=O)OC(=O)C1C.CC1C2CCC(C2)C1C.CC1C2CCC(C2)C1C.CCC(C)C(=O)OC(C)(C)C1CCC(C)CC1=O.CCC(C)C(=O)OC1(C)C2CC3C(=O)OC1C3C2.CCC(C)C(=O)OC1(CC)C2CC3CC(C2)CC1C3.CCC(C)C(=O)OC1CCC2CC1OC2=O
• InChI: InChI=1S/C17H28O2.C15H26O3.C14H20O4.C12H19NO2.C12H18O4.2C9H16.2C6H8O3/c1-4-11(3)16(18)19-17(5-2)14-7-12-6-13(9-14)10-15(17)8-12;1-6-11(3)14(17)18-15(4,5)12-8-7-10(2)9-13(12)16;1-4-7(2)12(15)18-14(3)8-5-9-10(6-8)13(16)17-11(9)14;1-8-9(2)12(15)13(11(8)14)10-6-4-3-5-7-10;1-3-7(2)11(13)15-9-5-4-8-6-10(9)16-12(8)14;2*1-6-7(2)9-4-3-8(6)5-9;2*1-3-4(2)6(8)9-5(3)7/h11-15H,4-10H2,1-3H3;10-12H,6-9H2,1-5H3;7-11H,4-6H2,1-3H3;8-10H,3-7H2,1-2H3;7-10H,3-6H2,1-2H3;2*6-9H,3-5H2,1-2H3;2*3-4H,1-2H3
• InChIKey: LXETUGYTWITSPU-UHFFFAOYSA-N
• XLogP: 19.15
• TPSA: 298.99 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 15
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1711.36
LogP ≤ 5	19.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;bis(2,3-dimethylbicyclo[2.2.1]heptane);bis(3,4-dimethyloxolane-2,5-dione);(2-ethyl-2-adamantyl) 2-methylbutanoate;2-(4-methyl-2-oxocyclohexyl)propan-2-yl 2-methylbutanoate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylbutanoate?

The IUPAC name of 1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;bis(2,3-dimethylbicyclo[2.2.1]heptane);bis(3,4-dimethyloxolane-2,5-dione);(2-ethyl-2-adamantyl) 2-methylbutanoate;2-(4-methyl-2-oxocyclohexyl)propan-2-yl 2-methylbutanoate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylbutanoate (CID 159482674) is 1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;bis(2,3-dimethylbicyclo[2.2.1]heptane);bis(3,4-dimethyloxolane-2,5-dione);(2-ethyl-2-adamantyl) 2-methylbutanoate;2-(4-methyl-2-oxocyclohexyl)propan-2-yl 2-methylbutanoate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylbutanoate.

What is the SMILES notation for 1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;bis(2,3-dimethylbicyclo[2.2.1]heptane);bis(3,4-dimethyloxolane-2,5-dione);(2-ethyl-2-adamantyl) 2-methylbutanoate;2-(4-methyl-2-oxocyclohexyl)propan-2-yl 2-methylbutanoate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylbutanoate?

The canonical SMILES for 1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;bis(2,3-dimethylbicyclo[2.2.1]heptane);bis(3,4-dimethyloxolane-2,5-dione);(2-ethyl-2-adamantyl) 2-methylbutanoate;2-(4-methyl-2-oxocyclohexyl)propan-2-yl 2-methylbutanoate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylbutanoate is CC1C(=O)N(C2CCCCC2)C(=O)C1C.CC1C(=O)OC(=O)C1C.CC1C(=O)OC(=O)C1C.CC1C2CCC(C2)C1C.CC1C2CCC(C2)C1C.CCC(C)C(=O)OC(C)(C)C1CCC(C)CC1=O.CCC(C)C(=O)OC1(C)C2CC3C(=O)OC1C3C2.CCC(C)C(=O)OC1(CC)C2CC3CC(C2)CC1C3.CCC(C)C(=O)OC1CCC2CC1OC2=O.

What is the InChIKey of 1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;bis(2,3-dimethylbicyclo[2.2.1]heptane);bis(3,4-dimethyloxolane-2,5-dione);(2-ethyl-2-adamantyl) 2-methylbutanoate;2-(4-methyl-2-oxocyclohexyl)propan-2-yl 2-methylbutanoate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylbutanoate?

The InChIKey is LXETUGYTWITSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2.C15H26O3.C14H20O4.C12H19NO2.C12H18O4.2C9H16.2C6H8O3/c1-4-11(3)16(18)19-17(5-2)14-7-12-6-13(9-14)10-15(17)8-12;1-6-11(3)14(17)18-15(4,5)12-8-7-10(2)9-13(12)16;1-4-7(2)12(15)18-14(3)8-5-9-10(6-8)13(16)17-11(9)14;1-8-9(2)12(15)13(11(8)14)10-6-4-3-5-7-10;1-3-7(2)11(13)15-9-5-4-8-6-10(9)16-12(8)14;2*1-6-7(2)9-4-3-8(6)5-9;2*1-3-4(2)6(8)9-5(3)7/h11-15H,4-10H2,1-3H3;10-12H,6-9H2,1-5H3;7-11H,4-6H2,1-3H3;8-10H,3-7H2,1-2H3;7-10H,3-6H2,1-2H3;2*6-9H,3-5H2,1-2H3;2*3-4H,1-2H3.

What are the key properties of 1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;bis(2,3-dimethylbicyclo[2.2.1]heptane);bis(3,4-dimethyloxolane-2,5-dione);(2-ethyl-2-adamantyl) 2-methylbutanoate;2-(4-methyl-2-oxocyclohexyl)propan-2-yl 2-methylbutanoate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylbutanoate?

1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;bis(2,3-dimethylbicyclo[2.2.1]heptane);bis(3,4-dimethyloxolane-2,5-dione);(2-ethyl-2-adamantyl) 2-methylbutanoate;2-(4-methyl-2-oxocyclohexyl)propan-2-yl 2-methylbutanoate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylbutanoate has a molecular weight of 1711.36 g/mol, XLogP of 19.15, 15 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclohexyl-3,4-dimethylpyrrolidine-2,5-dione;bis(2,3-dimethylbicyclo[2.2.1]heptane);bis(3,4-dimethyloxolane-2,5-dione);(2-ethyl-2-adamantyl) 2-methylbutanoate;2-(4-methyl-2-oxocyclohexyl)propan-2-yl 2-methylbutanoate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl) 2-methylbutanoate is sourced from PubChem (CID 159482674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).