bis((4-tert-butylcyclohexyl) 2,2-dimethylbutanoate);[2-(3-cyclohexylpentan-3-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1,1-dicyclohexylpropoxy)-2-oxoethyl] 2,2-dimethylbutanoate;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate)

C119H204O24 — CID 162179517

About bis((4-tert-butylcyclohexyl) 2,2-dimethylbutanoate);[2-(3-cyclohexylpentan-3-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1,1-dicyclohexylpropoxy)-2-oxoethyl] 2,2-dimethylbutanoate;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate)

bis((4-tert-butylcyclohexyl) 2,2-dimethylbutanoate);[2-(3-cyclohexylpentan-3-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1,1-dicyclohexylpropoxy)-2-oxoethyl] 2,2-dimethylbutanoate;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate) (PubChem CID 162179517) has the molecular formula C119H204O24 and a molecular weight of 2018.92 g/mol. Its IUPAC name is bis((4-tert-butylcyclohexyl) 2,2-dimethylbutanoate);[2-(3-cyclohexylpentan-3-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1,1-dicyclohexylpropoxy)-2-oxoethyl] 2,2-dimethylbutanoate;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate).

Molecular Properties

• Compound Name: bis((4-tert-butylcyclohexyl) 2,2-dimethylbutanoate);[2-(3-cyclohexylpentan-3-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1,1-dicyclohexylpropoxy)-2-oxoethyl] 2,2-dimethylbutanoate;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate)
• PubChem CID: 162179517
• Molecular Formula: C119H204O24
• Molecular Weight: 2018.92 g/mol
• Exact Mass: 2017.47
• IUPAC Name: bis((4-tert-butylcyclohexyl) 2,2-dimethylbutanoate);[2-(3-cyclohexylpentan-3-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1,1-dicyclohexylpropoxy)-2-oxoethyl] 2,2-dimethylbutanoate;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate)
• SMILES: CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1CCC(C(C)(C)C)CC1.CCC(C)(C)C(=O)OC1CCC(C(C)(C)C)CC1.CCC(C)(C)C(=O)OCC(=O)OC(C)(C)C1CCCCC1.CCC(C)(C)C(=O)OCC(=O)OC(CC)(C1CCCCC1)C1CCCCC1.CCC(C)(C)C(=O)OCC(=O)OC(CC)(CC)C1CCCCC1
• InChI: InChI=1S/C23H40O4.C19H34O4.C17H30O4.2C16H30O2.2C14H20O4/c1-5-22(3,4)21(25)26-17-20(24)27-23(6-2,18-13-9-7-10-14-18)19-15-11-8-12-16-19;1-6-18(4,5)17(21)22-14-16(20)23-19(7-2,8-3)15-12-10-9-11-13-15;1-6-16(2,3)15(19)20-12-14(18)21-17(4,5)13-10-8-7-9-11-13;2*1-7-16(5,6)14(17)18-13-10-8-12(9-11-13)15(2,3)4;2*1-4-14(2,3)13(16)18-10-7-5-8-9(6-7)12(15)17-11(8)10/h18-19H,5-17H2,1-4H3;15H,6-14H2,1-5H3;13H,6-12H2,1-5H3;2*12-13H,7-11H2,1-6H3;2*7-11H,4-6H2,1-3H3
• InChIKey: ZOVIMJQEYQCDOC-UHFFFAOYSA-N
• XLogP: 27.31
• TPSA: 315.60 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 34
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2018.92
LogP ≤ 5	27.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis((4-tert-butylcyclohexyl) 2,2-dimethylbutanoate);[2-(3-cyclohexylpentan-3-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1,1-dicyclohexylpropoxy)-2-oxoethyl] 2,2-dimethylbutanoate;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate)?

The IUPAC name of bis((4-tert-butylcyclohexyl) 2,2-dimethylbutanoate);[2-(3-cyclohexylpentan-3-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1,1-dicyclohexylpropoxy)-2-oxoethyl] 2,2-dimethylbutanoate;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate) (CID 162179517) is bis((4-tert-butylcyclohexyl) 2,2-dimethylbutanoate);[2-(3-cyclohexylpentan-3-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1,1-dicyclohexylpropoxy)-2-oxoethyl] 2,2-dimethylbutanoate;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate).

What is the SMILES notation for bis((4-tert-butylcyclohexyl) 2,2-dimethylbutanoate);[2-(3-cyclohexylpentan-3-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1,1-dicyclohexylpropoxy)-2-oxoethyl] 2,2-dimethylbutanoate;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate)?

The canonical SMILES for bis((4-tert-butylcyclohexyl) 2,2-dimethylbutanoate);[2-(3-cyclohexylpentan-3-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1,1-dicyclohexylpropoxy)-2-oxoethyl] 2,2-dimethylbutanoate;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate) is CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1CCC(C(C)(C)C)CC1.CCC(C)(C)C(=O)OC1CCC(C(C)(C)C)CC1.CCC(C)(C)C(=O)OCC(=O)OC(C)(C)C1CCCCC1.CCC(C)(C)C(=O)OCC(=O)OC(CC)(C1CCCCC1)C1CCCCC1.CCC(C)(C)C(=O)OCC(=O)OC(CC)(CC)C1CCCCC1.

What is the InChIKey of bis((4-tert-butylcyclohexyl) 2,2-dimethylbutanoate);[2-(3-cyclohexylpentan-3-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1,1-dicyclohexylpropoxy)-2-oxoethyl] 2,2-dimethylbutanoate;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate)?

The InChIKey is ZOVIMJQEYQCDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40O4.C19H34O4.C17H30O4.2C16H30O2.2C14H20O4/c1-5-22(3,4)21(25)26-17-20(24)27-23(6-2,18-13-9-7-10-14-18)19-15-11-8-12-16-19;1-6-18(4,5)17(21)22-14-16(20)23-19(7-2,8-3)15-12-10-9-11-13-15;1-6-16(2,3)15(19)20-12-14(18)21-17(4,5)13-10-8-7-9-11-13;2*1-7-16(5,6)14(17)18-13-10-8-12(9-11-13)15(2,3)4;2*1-4-14(2,3)13(16)18-10-7-5-8-9(6-7)12(15)17-11(8)10/h18-19H,5-17H2,1-4H3;15H,6-14H2,1-5H3;13H,6-12H2,1-5H3;2*12-13H,7-11H2,1-6H3;2*7-11H,4-6H2,1-3H3.

What are the key properties of bis((4-tert-butylcyclohexyl) 2,2-dimethylbutanoate);[2-(3-cyclohexylpentan-3-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1,1-dicyclohexylpropoxy)-2-oxoethyl] 2,2-dimethylbutanoate;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate)?

bis((4-tert-butylcyclohexyl) 2,2-dimethylbutanoate);[2-(3-cyclohexylpentan-3-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1,1-dicyclohexylpropoxy)-2-oxoethyl] 2,2-dimethylbutanoate;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate) has a molecular weight of 2018.92 g/mol, XLogP of 27.31, 34 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for bis((4-tert-butylcyclohexyl) 2,2-dimethylbutanoate);[2-(3-cyclohexylpentan-3-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(2-cyclohexylpropan-2-yloxy)-2-oxoethyl] 2,2-dimethylbutanoate;[2-(1,1-dicyclohexylpropoxy)-2-oxoethyl] 2,2-dimethylbutanoate;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate) is sourced from PubChem (CID 162179517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).