bis(tert-butyl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate);cyclohexyl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;tris((3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate);(1-ethylcyclopentyl) 2,2-dimethylbutanoate;(2-methyl-2-adamantyl) 2,2-dimethylbutanoate

C141H232O34 — CID 158273723

About bis(tert-butyl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate);cyclohexyl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;tris((3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate);(1-ethylcyclopentyl) 2,2-dimethylbutanoate;(2-methyl-2-adamantyl) 2,2-dimethylbutanoate

bis(tert-butyl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate);cyclohexyl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;tris((3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate);(1-ethylcyclopentyl) 2,2-dimethylbutanoate;(2-methyl-2-adamantyl) 2,2-dimethylbutanoate (PubChem CID 158273723) has the molecular formula C141H232O34 and a molecular weight of 2471.37 g/mol. Its IUPAC name is bis(tert-butyl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate);cyclohexyl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;tris((3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate);(1-ethylcyclopentyl) 2,2-dimethylbutanoate;(2-methyl-2-adamantyl) 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: bis(tert-butyl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate);cyclohexyl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;tris((3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate);(1-ethylcyclopentyl) 2,2-dimethylbutanoate;(2-methyl-2-adamantyl) 2,2-dimethylbutanoate
• PubChem CID: 158273723
• Molecular Formula: C141H232O34
• Molecular Weight: 2471.37 g/mol
• Exact Mass: 2469.64
• IUPAC Name: bis(tert-butyl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate);cyclohexyl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;tris((3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate);(1-ethylcyclopentyl) 2,2-dimethylbutanoate;(2-methyl-2-adamantyl) 2,2-dimethylbutanoate
• SMILES: CCC(C)(C)C(=O)OC(C)(C)C1CCCCC1.CCC(C)(C)C(=O)OC1(C)C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OC12CC3CC(O)(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC12CC3CC(O)(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC12CC3CC(O)(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC1C2OC(=O)C3C2OC1C3C(=O)OC(C)(C)C.CCC(C)(C)C(=O)OC1C2OC(=O)C3C2OC1C3C(=O)OC(C)(C)C.CCC(C)(C)C(=O)OC1CCCCC1.CCC1(OC(=O)C(C)(C)CC)CCCC1
• InChI: InChI=1S/2C18H26O7.C17H28O2.3C16H26O4.C15H28O2.C13H24O2.C12H22O2/c2*1-7-18(5,6)16(21)24-13-11-9(15(20)25-17(2,3)4)8-10(22-11)12(13)23-14(8)19;1-5-16(2,3)15(18)19-17(4)13-7-11-6-12(9-13)10-14(17)8-11;3*1-4-13(2,3)12(17)20-16-7-11-5-14(18,9-16)8-15(19,6-11)10-16;1-6-14(2,3)13(16)17-15(4,5)12-10-8-7-9-11-12;1-5-12(3,4)11(14)15-13(6-2)9-7-8-10-13;1-4-12(2,3)11(13)14-10-8-6-5-7-9-10/h2*8-13H,7H2,1-6H3;11-14H,5-10H2,1-4H3;3*11,18-19H,4-10H2,1-3H3;12H,6-11H2,1-5H3;5-10H2,1-4H3;10H,4-9H2,1-3H3
• InChIKey: GJISZNQQURFLQM-UHFFFAOYSA-N
• XLogP: 25.22
• TPSA: 481.74 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 31
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2471.37
LogP ≤ 5	25.22
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(tert-butyl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate);cyclohexyl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;tris((3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate);(1-ethylcyclopentyl) 2,2-dimethylbutanoate;(2-methyl-2-adamantyl) 2,2-dimethylbutanoate?

The IUPAC name of bis(tert-butyl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate);cyclohexyl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;tris((3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate);(1-ethylcyclopentyl) 2,2-dimethylbutanoate;(2-methyl-2-adamantyl) 2,2-dimethylbutanoate (CID 158273723) is bis(tert-butyl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate);cyclohexyl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;tris((3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate);(1-ethylcyclopentyl) 2,2-dimethylbutanoate;(2-methyl-2-adamantyl) 2,2-dimethylbutanoate.

What is the SMILES notation for bis(tert-butyl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate);cyclohexyl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;tris((3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate);(1-ethylcyclopentyl) 2,2-dimethylbutanoate;(2-methyl-2-adamantyl) 2,2-dimethylbutanoate?

The canonical SMILES for bis(tert-butyl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate);cyclohexyl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;tris((3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate);(1-ethylcyclopentyl) 2,2-dimethylbutanoate;(2-methyl-2-adamantyl) 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC(C)(C)C1CCCCC1.CCC(C)(C)C(=O)OC1(C)C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OC12CC3CC(O)(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC12CC3CC(O)(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC12CC3CC(O)(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC1C2OC(=O)C3C2OC1C3C(=O)OC(C)(C)C.CCC(C)(C)C(=O)OC1C2OC(=O)C3C2OC1C3C(=O)OC(C)(C)C.CCC(C)(C)C(=O)OC1CCCCC1.CCC1(OC(=O)C(C)(C)CC)CCCC1.

What is the InChIKey of bis(tert-butyl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate);cyclohexyl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;tris((3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate);(1-ethylcyclopentyl) 2,2-dimethylbutanoate;(2-methyl-2-adamantyl) 2,2-dimethylbutanoate?

The InChIKey is GJISZNQQURFLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H26O7.C17H28O2.3C16H26O4.C15H28O2.C13H24O2.C12H22O2/c2*1-7-18(5,6)16(21)24-13-11-9(15(20)25-17(2,3)4)8-10(22-11)12(13)23-14(8)19;1-5-16(2,3)15(18)19-17(4)13-7-11-6-12(9-13)10-14(17)8-11;3*1-4-13(2,3)12(17)20-16-7-11-5-14(18,9-16)8-15(19,6-11)10-16;1-6-14(2,3)13(16)17-15(4,5)12-10-8-7-9-11-12;1-5-12(3,4)11(14)15-13(6-2)9-7-8-10-13;1-4-12(2,3)11(13)14-10-8-6-5-7-9-10/h2*8-13H,7H2,1-6H3;11-14H,5-10H2,1-4H3;3*11,18-19H,4-10H2,1-3H3;12H,6-11H2,1-5H3;5-10H2,1-4H3;10H,4-9H2,1-3H3.

What are the key properties of bis(tert-butyl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate);cyclohexyl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;tris((3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate);(1-ethylcyclopentyl) 2,2-dimethylbutanoate;(2-methyl-2-adamantyl) 2,2-dimethylbutanoate?

bis(tert-butyl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate);cyclohexyl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;tris((3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate);(1-ethylcyclopentyl) 2,2-dimethylbutanoate;(2-methyl-2-adamantyl) 2,2-dimethylbutanoate has a molecular weight of 2471.37 g/mol, XLogP of 25.22, 31 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for bis(tert-butyl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carboxylate);cyclohexyl 2,2-dimethylbutanoate;2-cyclohexylpropan-2-yl 2,2-dimethylbutanoate;tris((3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate);(1-ethylcyclopentyl) 2,2-dimethylbutanoate;(2-methyl-2-adamantyl) 2,2-dimethylbutanoate is sourced from PubChem (CID 158273723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).