bis((1-tert-butylcyclopentyl) 2,2-dimethylbutanoate);tetrakis((5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[1-(2-methylbutan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[1-(3-methylpentan-3-yl)cyclopentyl] 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate

C145H248O35S4 — CID 160652391

About bis((1-tert-butylcyclopentyl) 2,2-dimethylbutanoate);tetrakis((5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[1-(2-methylbutan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[1-(3-methylpentan-3-yl)cyclopentyl] 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate

bis((1-tert-butylcyclopentyl) 2,2-dimethylbutanoate);tetrakis((5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[1-(2-methylbutan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[1-(3-methylpentan-3-yl)cyclopentyl] 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate (PubChem CID 160652391) has the molecular formula C145H248O35S4 and a molecular weight of 2679.81 g/mol. Its IUPAC name is bis((1-tert-butylcyclopentyl) 2,2-dimethylbutanoate);tetrakis((5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[1-(2-methylbutan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[1-(3-methylpentan-3-yl)cyclopentyl] 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: bis((1-tert-butylcyclopentyl) 2,2-dimethylbutanoate);tetrakis((5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[1-(2-methylbutan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[1-(3-methylpentan-3-yl)cyclopentyl] 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate
• PubChem CID: 160652391
• Molecular Formula: C145H248O35S4
• Molecular Weight: 2679.81 g/mol
• Exact Mass: 2677.65
• IUPAC Name: bis((1-tert-butylcyclopentyl) 2,2-dimethylbutanoate);tetrakis((5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[1-(2-methylbutan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[1-(3-methylpentan-3-yl)cyclopentyl] 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate
• SMILES: CCC(C)(C)C(=O)OC1(C(C)(C)C)CCCC1.CCC(C)(C)C(=O)OC1(C(C)(C)C)CCCC1.CCC(C)(C)C(=O)OC1(C(C)(C)CC)CCCC1.CCC(C)(C)C(=O)OC1(C(C)(C)COC)CCCC1.CCC(C)(C)C(=O)OC1(C(C)(CC)CC)CCCC1.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1C2CC3C1OS(=O)(=O)C3C2.CCC(C)(C)C(=O)OC1C2CC3C1OS(=O)(=O)C3C2.CCC(C)(C)C(=O)OC1C2CC3C1OS(=O)(=O)C3C2.CCC(C)(C)C(=O)OC1C2CC3C1OS(=O)(=O)C3C2
• InChI: InChI=1S/C17H32O2.C16H30O3.C16H30O2.2C15H28O2.C14H20O4.4C13H20O5S/c1-7-15(4,5)14(18)19-17(12-10-11-13-17)16(6,8-2)9-3;1-7-14(2,3)13(17)19-16(10-8-9-11-16)15(4,5)12-18-6;1-7-14(3,4)13(17)18-16(11-9-10-12-16)15(5,6)8-2;2*1-7-14(5,6)12(16)17-15(13(2,3)4)10-8-9-11-15;1-4-14(2,3)13(16)18-10-7-5-8-9(6-7)12(15)17-11(8)10;4*1-4-13(2,3)12(14)17-10-7-5-8-9(6-7)19(15,16)18-11(8)10/h7-13H2,1-6H3;7-12H2,1-6H3;7-12H2,1-6H3;2*7-11H2,1-6H3;7-11H,4-6H2,1-3H3;4*7-11H,4-6H2,1-3H3
• InChIKey: RKPDXJOXNINVLS-UHFFFAOYSA-N
• XLogP: 30.22
• TPSA: 472.01 Ų
• H-Bond Acceptors: 35
• Rotatable Bonds: 38
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2679.81
LogP ≤ 5	30.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis((1-tert-butylcyclopentyl) 2,2-dimethylbutanoate);tetrakis((5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[1-(2-methylbutan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[1-(3-methylpentan-3-yl)cyclopentyl] 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate?

The IUPAC name of bis((1-tert-butylcyclopentyl) 2,2-dimethylbutanoate);tetrakis((5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[1-(2-methylbutan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[1-(3-methylpentan-3-yl)cyclopentyl] 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate (CID 160652391) is bis((1-tert-butylcyclopentyl) 2,2-dimethylbutanoate);tetrakis((5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[1-(2-methylbutan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[1-(3-methylpentan-3-yl)cyclopentyl] 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate.

What is the SMILES notation for bis((1-tert-butylcyclopentyl) 2,2-dimethylbutanoate);tetrakis((5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[1-(2-methylbutan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[1-(3-methylpentan-3-yl)cyclopentyl] 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate?

The canonical SMILES for bis((1-tert-butylcyclopentyl) 2,2-dimethylbutanoate);tetrakis((5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[1-(2-methylbutan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[1-(3-methylpentan-3-yl)cyclopentyl] 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC1(C(C)(C)C)CCCC1.CCC(C)(C)C(=O)OC1(C(C)(C)C)CCCC1.CCC(C)(C)C(=O)OC1(C(C)(C)CC)CCCC1.CCC(C)(C)C(=O)OC1(C(C)(C)COC)CCCC1.CCC(C)(C)C(=O)OC1(C(C)(CC)CC)CCCC1.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1C2CC3C1OS(=O)(=O)C3C2.CCC(C)(C)C(=O)OC1C2CC3C1OS(=O)(=O)C3C2.CCC(C)(C)C(=O)OC1C2CC3C1OS(=O)(=O)C3C2.CCC(C)(C)C(=O)OC1C2CC3C1OS(=O)(=O)C3C2.

What is the InChIKey of bis((1-tert-butylcyclopentyl) 2,2-dimethylbutanoate);tetrakis((5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[1-(2-methylbutan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[1-(3-methylpentan-3-yl)cyclopentyl] 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate?

The InChIKey is RKPDXJOXNINVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2.C16H30O3.C16H30O2.2C15H28O2.C14H20O4.4C13H20O5S/c1-7-15(4,5)14(18)19-17(12-10-11-13-17)16(6,8-2)9-3;1-7-14(2,3)13(17)19-16(10-8-9-11-16)15(4,5)12-18-6;1-7-14(3,4)13(17)18-16(11-9-10-12-16)15(5,6)8-2;2*1-7-14(5,6)12(16)17-15(13(2,3)4)10-8-9-11-15;1-4-14(2,3)13(16)18-10-7-5-8-9(6-7)12(15)17-11(8)10;4*1-4-13(2,3)12(14)17-10-7-5-8-9(6-7)19(15,16)18-11(8)10/h7-13H2,1-6H3;7-12H2,1-6H3;7-12H2,1-6H3;2*7-11H2,1-6H3;7-11H,4-6H2,1-3H3;4*7-11H,4-6H2,1-3H3.

What are the key properties of bis((1-tert-butylcyclopentyl) 2,2-dimethylbutanoate);tetrakis((5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[1-(2-methylbutan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[1-(3-methylpentan-3-yl)cyclopentyl] 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate?

bis((1-tert-butylcyclopentyl) 2,2-dimethylbutanoate);tetrakis((5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[1-(2-methylbutan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[1-(3-methylpentan-3-yl)cyclopentyl] 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate has a molecular weight of 2679.81 g/mol, XLogP of 30.22, 38 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for bis((1-tert-butylcyclopentyl) 2,2-dimethylbutanoate);tetrakis((5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);[1-(1-methoxy-2-methylpropan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[1-(2-methylbutan-2-yl)cyclopentyl] 2,2-dimethylbutanoate;[1-(3-methylpentan-3-yl)cyclopentyl] 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate is sourced from PubChem (CID 160652391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).