bis(2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate);(1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;cyclohexyl 2,2-dimethylbutanoate;(1-cyclopentylcyclopentyl) 2,2-dimethylbutanoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;tris((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate);tris((1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate)

C174H290O33 — CID 159532696

About bis(2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate);(1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;cyclohexyl 2,2-dimethylbutanoate;(1-cyclopentylcyclopentyl) 2,2-dimethylbutanoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;tris((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate);tris((1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate)

bis(2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate);(1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;cyclohexyl 2,2-dimethylbutanoate;(1-cyclopentylcyclopentyl) 2,2-dimethylbutanoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;tris((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate);tris((1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate) (PubChem CID 159532696) has the molecular formula C174H290O33 and a molecular weight of 2910.20 g/mol. Its IUPAC name is bis(2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate);(1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;cyclohexyl 2,2-dimethylbutanoate;(1-cyclopentylcyclopentyl) 2,2-dimethylbutanoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;tris((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate);tris((1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate).

Molecular Properties

• Compound Name: bis(2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate);(1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;cyclohexyl 2,2-dimethylbutanoate;(1-cyclopentylcyclopentyl) 2,2-dimethylbutanoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;tris((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate);tris((1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate)
• PubChem CID: 159532696
• Molecular Formula: C174H290O33
• Molecular Weight: 2910.20 g/mol
• Exact Mass: 2908.10
• IUPAC Name: bis(2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate);(1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;cyclohexyl 2,2-dimethylbutanoate;(1-cyclopentylcyclopentyl) 2,2-dimethylbutanoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;tris((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate);tris((1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate)
• SMILES: CCC(C)(C)C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)OC1(C(C)(C)C)CCCC1.CCC(C)(C)C(=O)OC1(C(C)C)CCCC1.CCC(C)(C)C(=O)OC1(C(C)C)CCCC1.CCC(C)(C)C(=O)OC1(C(C)C)CCCC1.CCC(C)(C)C(=O)OC1(C2CCCC2)CCCC1.CCC(C)(C)C(=O)OC1CCCCC1.CCC(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)C(=O)OC1C2CC3C(=O)OC1C3O2
• InChI: InChI=1S/2C19H32O2.C16H28O2.C15H28O2.3C14H26O2.3C13H18O4.C12H16O5.C12H22O2/c2*1-6-17(2,3)16(20)21-18(4,5)19-10-13-7-14(11-19)9-15(8-13)12-19;1-4-15(2,3)14(17)18-16(11-7-8-12-16)13-9-5-6-10-13;1-7-14(5,6)12(16)17-15(13(2,3)4)10-8-9-11-15;3*1-6-13(4,5)12(15)16-14(11(2)3)9-7-8-10-14;3*1-3-6(2)12(14)16-10-7-4-8-9(5-7)13(15)17-11(8)10;1-3-5(2)11(13)16-9-7-4-6-8(15-7)10(9)17-12(6)14;1-4-12(2,3)11(13)14-10-8-6-5-7-9-10/h2*13-15H,6-12H2,1-5H3;13H,4-12H2,1-3H3;7-11H2,1-6H3;3*11H,6-10H2,1-5H3;3*6-11H,3-5H2,1-2H3;5-10H,3-4H2,1-2H3;10H,4-9H2,1-3H3
• InChIKey: MDEVEMNAMIIOOO-UHFFFAOYSA-N
• XLogP: 39.05
• TPSA: 430.03 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 42
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2910.20
LogP ≤ 5	39.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate);(1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;cyclohexyl 2,2-dimethylbutanoate;(1-cyclopentylcyclopentyl) 2,2-dimethylbutanoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;tris((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate);tris((1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate)?

The IUPAC name of bis(2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate);(1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;cyclohexyl 2,2-dimethylbutanoate;(1-cyclopentylcyclopentyl) 2,2-dimethylbutanoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;tris((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate);tris((1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate) (CID 159532696) is bis(2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate);(1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;cyclohexyl 2,2-dimethylbutanoate;(1-cyclopentylcyclopentyl) 2,2-dimethylbutanoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;tris((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate);tris((1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate).

What is the SMILES notation for bis(2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate);(1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;cyclohexyl 2,2-dimethylbutanoate;(1-cyclopentylcyclopentyl) 2,2-dimethylbutanoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;tris((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate);tris((1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate)?

The canonical SMILES for bis(2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate);(1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;cyclohexyl 2,2-dimethylbutanoate;(1-cyclopentylcyclopentyl) 2,2-dimethylbutanoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;tris((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate);tris((1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate) is CCC(C)(C)C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)OC1(C(C)(C)C)CCCC1.CCC(C)(C)C(=O)OC1(C(C)C)CCCC1.CCC(C)(C)C(=O)OC1(C(C)C)CCCC1.CCC(C)(C)C(=O)OC1(C(C)C)CCCC1.CCC(C)(C)C(=O)OC1(C2CCCC2)CCCC1.CCC(C)(C)C(=O)OC1CCCCC1.CCC(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)C(=O)OC1C2CC3C(=O)OC1C3O2.

What is the InChIKey of bis(2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate);(1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;cyclohexyl 2,2-dimethylbutanoate;(1-cyclopentylcyclopentyl) 2,2-dimethylbutanoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;tris((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate);tris((1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate)?

The InChIKey is MDEVEMNAMIIOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H32O2.C16H28O2.C15H28O2.3C14H26O2.3C13H18O4.C12H16O5.C12H22O2/c2*1-6-17(2,3)16(20)21-18(4,5)19-10-13-7-14(11-19)9-15(8-13)12-19;1-4-15(2,3)14(17)18-16(11-7-8-12-16)13-9-5-6-10-13;1-7-14(5,6)12(16)17-15(13(2,3)4)10-8-9-11-15;3*1-6-13(4,5)12(15)16-14(11(2)3)9-7-8-10-14;3*1-3-6(2)12(14)16-10-7-4-8-9(5-7)13(15)17-11(8)10;1-3-5(2)11(13)16-9-7-4-6-8(15-7)10(9)17-12(6)14;1-4-12(2,3)11(13)14-10-8-6-5-7-9-10/h2*13-15H,6-12H2,1-5H3;13H,4-12H2,1-3H3;7-11H2,1-6H3;3*11H,6-10H2,1-5H3;3*6-11H,3-5H2,1-2H3;5-10H,3-4H2,1-2H3;10H,4-9H2,1-3H3.

What are the key properties of bis(2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate);(1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;cyclohexyl 2,2-dimethylbutanoate;(1-cyclopentylcyclopentyl) 2,2-dimethylbutanoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;tris((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate);tris((1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate)?

bis(2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate);(1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;cyclohexyl 2,2-dimethylbutanoate;(1-cyclopentylcyclopentyl) 2,2-dimethylbutanoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;tris((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate);tris((1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate) has a molecular weight of 2910.20 g/mol, XLogP of 39.05, 42 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate);(1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;cyclohexyl 2,2-dimethylbutanoate;(1-cyclopentylcyclopentyl) 2,2-dimethylbutanoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate;tris((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylbutanoate);tris((1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate) is sourced from PubChem (CID 159532696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).