tris(4-butan-2-ylphenol);(1-cyclohexyloxy-2,2-dimethylpropyl) 2,2-dimethylbutanoate;(1-cyclohexyloxy-2,2-dimethylpropyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;(1-cyclohexyloxy-2,2-dimethylpropyl) 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;tris((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate)

C143H220O30 — CID 159465704

About tris(4-butan-2-ylphenol);(1-cyclohexyloxy-2,2-dimethylpropyl) 2,2-dimethylbutanoate;(1-cyclohexyloxy-2,2-dimethylpropyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;(1-cyclohexyloxy-2,2-dimethylpropyl) 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;tris((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate)

tris(4-butan-2-ylphenol);(1-cyclohexyloxy-2,2-dimethylpropyl) 2,2-dimethylbutanoate;(1-cyclohexyloxy-2,2-dimethylpropyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;(1-cyclohexyloxy-2,2-dimethylpropyl) 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;tris((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate) (PubChem CID 159465704) has the molecular formula C143H220O30 and a molecular weight of 2419.30 g/mol. Its IUPAC name is tris(4-butan-2-ylphenol);(1-cyclohexyloxy-2,2-dimethylpropyl) 2,2-dimethylbutanoate;(1-cyclohexyloxy-2,2-dimethylpropyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;(1-cyclohexyloxy-2,2-dimethylpropyl) 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;tris((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate).

Molecular Properties

• Compound Name: tris(4-butan-2-ylphenol);(1-cyclohexyloxy-2,2-dimethylpropyl) 2,2-dimethylbutanoate;(1-cyclohexyloxy-2,2-dimethylpropyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;(1-cyclohexyloxy-2,2-dimethylpropyl) 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;tris((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate)
• PubChem CID: 159465704
• Molecular Formula: C143H220O30
• Molecular Weight: 2419.30 g/mol
• Exact Mass: 2417.57
• IUPAC Name: tris(4-butan-2-ylphenol);(1-cyclohexyloxy-2,2-dimethylpropyl) 2,2-dimethylbutanoate;(1-cyclohexyloxy-2,2-dimethylpropyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;(1-cyclohexyloxy-2,2-dimethylpropyl) 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;tris((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate)
• SMILES: CCC(C)(C)C(=O)OC(OC1CCCCC1)C(C)(C)C.CCC(C)(C)C(=O)OC12CC3CC(C1)CC(C(=O)OC(OC1CCCCC1)C(C)(C)C)(C3)C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1C2CC3C1OC(=O)C3(C(=O)OC(OC1CCCCC1)C(C)(C)C)C2.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1
• InChI: InChI=1S/C28H46O5.C26H40O7.C17H32O3.3C14H20O4.3C10H14O/c1-7-26(5,6)22(29)33-28-16-19-13-20(17-28)15-27(14-19,18-28)23(30)32-24(25(2,3)4)31-21-11-9-8-10-12-21;1-7-25(5,6)20(27)31-18-15-13-17-19(18)32-21(28)26(17,14-15)22(29)33-23(24(2,3)4)30-16-11-9-8-10-12-16;1-7-17(5,6)14(18)20-15(16(2,3)4)19-13-11-9-8-10-12-13;3*1-4-14(2,3)13(16)18-10-7-5-8-9(6-7)12(15)17-11(8)10;3*1-3-8(2)9-4-6-10(11)7-5-9/h19-21,24H,7-18H2,1-6H3;15-19,23H,7-14H2,1-6H3;13,15H,7-12H2,1-6H3;3*7-11H,4-6H2,1-3H3;3*4-8,11H,3H2,1-2H3
• InChIKey: LVDNZSAIPDJEBQ-UHFFFAOYSA-N
• XLogP: 30.27
• TPSA: 403.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 30
• Rotatable Bonds: 34
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2419.30
LogP ≤ 5	30.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tris(4-butan-2-ylphenol);(1-cyclohexyloxy-2,2-dimethylpropyl) 2,2-dimethylbutanoate;(1-cyclohexyloxy-2,2-dimethylpropyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;(1-cyclohexyloxy-2,2-dimethylpropyl) 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;tris((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate)?

The IUPAC name of tris(4-butan-2-ylphenol);(1-cyclohexyloxy-2,2-dimethylpropyl) 2,2-dimethylbutanoate;(1-cyclohexyloxy-2,2-dimethylpropyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;(1-cyclohexyloxy-2,2-dimethylpropyl) 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;tris((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate) (CID 159465704) is tris(4-butan-2-ylphenol);(1-cyclohexyloxy-2,2-dimethylpropyl) 2,2-dimethylbutanoate;(1-cyclohexyloxy-2,2-dimethylpropyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;(1-cyclohexyloxy-2,2-dimethylpropyl) 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;tris((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate).

What is the SMILES notation for tris(4-butan-2-ylphenol);(1-cyclohexyloxy-2,2-dimethylpropyl) 2,2-dimethylbutanoate;(1-cyclohexyloxy-2,2-dimethylpropyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;(1-cyclohexyloxy-2,2-dimethylpropyl) 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;tris((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate)?

The canonical SMILES for tris(4-butan-2-ylphenol);(1-cyclohexyloxy-2,2-dimethylpropyl) 2,2-dimethylbutanoate;(1-cyclohexyloxy-2,2-dimethylpropyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;(1-cyclohexyloxy-2,2-dimethylpropyl) 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;tris((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate) is CCC(C)(C)C(=O)OC(OC1CCCCC1)C(C)(C)C.CCC(C)(C)C(=O)OC12CC3CC(C1)CC(C(=O)OC(OC1CCCCC1)C(C)(C)C)(C3)C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1C2CC3C1OC(=O)C3(C(=O)OC(OC1CCCCC1)C(C)(C)C)C2.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.

What is the InChIKey of tris(4-butan-2-ylphenol);(1-cyclohexyloxy-2,2-dimethylpropyl) 2,2-dimethylbutanoate;(1-cyclohexyloxy-2,2-dimethylpropyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;(1-cyclohexyloxy-2,2-dimethylpropyl) 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;tris((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate)?

The InChIKey is LVDNZSAIPDJEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H46O5.C26H40O7.C17H32O3.3C14H20O4.3C10H14O/c1-7-26(5,6)22(29)33-28-16-19-13-20(17-28)15-27(14-19,18-28)23(30)32-24(25(2,3)4)31-21-11-9-8-10-12-21;1-7-25(5,6)20(27)31-18-15-13-17-19(18)32-21(28)26(17,14-15)22(29)33-23(24(2,3)4)30-16-11-9-8-10-12-16;1-7-17(5,6)14(18)20-15(16(2,3)4)19-13-11-9-8-10-12-13;3*1-4-14(2,3)13(16)18-10-7-5-8-9(6-7)12(15)17-11(8)10;3*1-3-8(2)9-4-6-10(11)7-5-9/h19-21,24H,7-18H2,1-6H3;15-19,23H,7-14H2,1-6H3;13,15H,7-12H2,1-6H3;3*7-11H,4-6H2,1-3H3;3*4-8,11H,3H2,1-2H3.

What are the key properties of tris(4-butan-2-ylphenol);(1-cyclohexyloxy-2,2-dimethylpropyl) 2,2-dimethylbutanoate;(1-cyclohexyloxy-2,2-dimethylpropyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;(1-cyclohexyloxy-2,2-dimethylpropyl) 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;tris((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate)?

tris(4-butan-2-ylphenol);(1-cyclohexyloxy-2,2-dimethylpropyl) 2,2-dimethylbutanoate;(1-cyclohexyloxy-2,2-dimethylpropyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;(1-cyclohexyloxy-2,2-dimethylpropyl) 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;tris((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate) has a molecular weight of 2419.30 g/mol, XLogP of 30.27, 34 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for tris(4-butan-2-ylphenol);(1-cyclohexyloxy-2,2-dimethylpropyl) 2,2-dimethylbutanoate;(1-cyclohexyloxy-2,2-dimethylpropyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;(1-cyclohexyloxy-2,2-dimethylpropyl) 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate;tris((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate) is sourced from PubChem (CID 159465704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).