tetrakis(4-butan-2-ylphenol);[cyclohexyl(cyclohexyloxy)methyl] 2,2-dimethylbutanoate;2-(2-cyclohexylethoxy)-5,5-dimethylheptan-4-one;(1-cyclohexyloxy-3,3-dimethylbutyl) 2,2-dimethylbutanoate;(2-methyl-1-propan-2-yloxypropyl) 2,2-dimethylbutanoate;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate)

C135H222O23 — CID 160607598

About tetrakis(4-butan-2-ylphenol);[cyclohexyl(cyclohexyloxy)methyl] 2,2-dimethylbutanoate;2-(2-cyclohexylethoxy)-5,5-dimethylheptan-4-one;(1-cyclohexyloxy-3,3-dimethylbutyl) 2,2-dimethylbutanoate;(2-methyl-1-propan-2-yloxypropyl) 2,2-dimethylbutanoate;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate)

tetrakis(4-butan-2-ylphenol);[cyclohexyl(cyclohexyloxy)methyl] 2,2-dimethylbutanoate;2-(2-cyclohexylethoxy)-5,5-dimethylheptan-4-one;(1-cyclohexyloxy-3,3-dimethylbutyl) 2,2-dimethylbutanoate;(2-methyl-1-propan-2-yloxypropyl) 2,2-dimethylbutanoate;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate) (PubChem CID 160607598) has the molecular formula C135H222O23 and a molecular weight of 2213.24 g/mol. Its IUPAC name is tetrakis(4-butan-2-ylphenol);[cyclohexyl(cyclohexyloxy)methyl] 2,2-dimethylbutanoate;2-(2-cyclohexylethoxy)-5,5-dimethylheptan-4-one;(1-cyclohexyloxy-3,3-dimethylbutyl) 2,2-dimethylbutanoate;(2-methyl-1-propan-2-yloxypropyl) 2,2-dimethylbutanoate;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate).

Molecular Properties

• Compound Name: tetrakis(4-butan-2-ylphenol);[cyclohexyl(cyclohexyloxy)methyl] 2,2-dimethylbutanoate;2-(2-cyclohexylethoxy)-5,5-dimethylheptan-4-one;(1-cyclohexyloxy-3,3-dimethylbutyl) 2,2-dimethylbutanoate;(2-methyl-1-propan-2-yloxypropyl) 2,2-dimethylbutanoate;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate)
• PubChem CID: 160607598
• Molecular Formula: C135H222O23
• Molecular Weight: 2213.24 g/mol
• Exact Mass: 2211.62
• IUPAC Name: tetrakis(4-butan-2-ylphenol);[cyclohexyl(cyclohexyloxy)methyl] 2,2-dimethylbutanoate;2-(2-cyclohexylethoxy)-5,5-dimethylheptan-4-one;(1-cyclohexyloxy-3,3-dimethylbutyl) 2,2-dimethylbutanoate;(2-methyl-1-propan-2-yloxypropyl) 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)CC(C)OCCC1CCCCC1.CCC(C)(C)C(=O)OC(CC(C)(C)C)OC1CCCCC1.CCC(C)(C)C(=O)OC(OC(C)C)C(C)C.CCC(C)(C)C(=O)OC(OC1CCCCC1)C1CCCCC1.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1
• InChI: InChI=1S/C19H34O3.C18H34O3.C17H32O2.2C14H20O4.C13H26O3.4C10H14O/c1-4-19(2,3)18(20)22-17(15-11-7-5-8-12-15)21-16-13-9-6-10-14-16;1-7-18(5,6)16(19)21-15(13-17(2,3)4)20-14-11-9-8-10-12-14;1-5-17(3,4)16(18)13-14(2)19-12-11-15-9-7-6-8-10-15;2*1-4-14(2,3)13(16)18-10-7-5-8-9(6-7)12(15)17-11(8)10;1-8-13(6,7)12(14)16-11(9(2)3)15-10(4)5;4*1-3-8(2)9-4-6-10(11)7-5-9/h15-17H,4-14H2,1-3H3;14-15H,7-13H2,1-6H3;14-15H,5-13H2,1-4H3;2*7-11H,4-6H2,1-3H3;9-11H,8H2,1-7H3;4*4-8,11H,3H2,1-2H3
• InChIKey: RFBUYCUAXOWAID-UHFFFAOYSA-N
• XLogP: 33.88
• TPSA: 319.01 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 40
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2213.24
LogP ≤ 5	33.88
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tetrakis(4-butan-2-ylphenol);[cyclohexyl(cyclohexyloxy)methyl] 2,2-dimethylbutanoate;2-(2-cyclohexylethoxy)-5,5-dimethylheptan-4-one;(1-cyclohexyloxy-3,3-dimethylbutyl) 2,2-dimethylbutanoate;(2-methyl-1-propan-2-yloxypropyl) 2,2-dimethylbutanoate;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate)?

The IUPAC name of tetrakis(4-butan-2-ylphenol);[cyclohexyl(cyclohexyloxy)methyl] 2,2-dimethylbutanoate;2-(2-cyclohexylethoxy)-5,5-dimethylheptan-4-one;(1-cyclohexyloxy-3,3-dimethylbutyl) 2,2-dimethylbutanoate;(2-methyl-1-propan-2-yloxypropyl) 2,2-dimethylbutanoate;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate) (CID 160607598) is tetrakis(4-butan-2-ylphenol);[cyclohexyl(cyclohexyloxy)methyl] 2,2-dimethylbutanoate;2-(2-cyclohexylethoxy)-5,5-dimethylheptan-4-one;(1-cyclohexyloxy-3,3-dimethylbutyl) 2,2-dimethylbutanoate;(2-methyl-1-propan-2-yloxypropyl) 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 tetrakis(4-butan-2-ylphenol);[cyclohexyl(cyclohexyloxy)methyl] 2,2-dimethylbutanoate;2-(2-cyclohexylethoxy)-5,5-dimethylheptan-4-one;(1-cyclohexyloxy-3,3-dimethylbutyl) 2,2-dimethylbutanoate;(2-methyl-1-propan-2-yloxypropyl) 2,2-dimethylbutanoate;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate)?

The canonical SMILES for tetrakis(4-butan-2-ylphenol);[cyclohexyl(cyclohexyloxy)methyl] 2,2-dimethylbutanoate;2-(2-cyclohexylethoxy)-5,5-dimethylheptan-4-one;(1-cyclohexyloxy-3,3-dimethylbutyl) 2,2-dimethylbutanoate;(2-methyl-1-propan-2-yloxypropyl) 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)CC(C)OCCC1CCCCC1.CCC(C)(C)C(=O)OC(CC(C)(C)C)OC1CCCCC1.CCC(C)(C)C(=O)OC(OC(C)C)C(C)C.CCC(C)(C)C(=O)OC(OC1CCCCC1)C1CCCCC1.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.

What is the InChIKey of tetrakis(4-butan-2-ylphenol);[cyclohexyl(cyclohexyloxy)methyl] 2,2-dimethylbutanoate;2-(2-cyclohexylethoxy)-5,5-dimethylheptan-4-one;(1-cyclohexyloxy-3,3-dimethylbutyl) 2,2-dimethylbutanoate;(2-methyl-1-propan-2-yloxypropyl) 2,2-dimethylbutanoate;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate)?

The InChIKey is RFBUYCUAXOWAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O3.C18H34O3.C17H32O2.2C14H20O4.C13H26O3.4C10H14O/c1-4-19(2,3)18(20)22-17(15-11-7-5-8-12-15)21-16-13-9-6-10-14-16;1-7-18(5,6)16(19)21-15(13-17(2,3)4)20-14-11-9-8-10-12-14;1-5-17(3,4)16(18)13-14(2)19-12-11-15-9-7-6-8-10-15;2*1-4-14(2,3)13(16)18-10-7-5-8-9(6-7)12(15)17-11(8)10;1-8-13(6,7)12(14)16-11(9(2)3)15-10(4)5;4*1-3-8(2)9-4-6-10(11)7-5-9/h15-17H,4-14H2,1-3H3;14-15H,7-13H2,1-6H3;14-15H,5-13H2,1-4H3;2*7-11H,4-6H2,1-3H3;9-11H,8H2,1-7H3;4*4-8,11H,3H2,1-2H3.

What are the key properties of tetrakis(4-butan-2-ylphenol);[cyclohexyl(cyclohexyloxy)methyl] 2,2-dimethylbutanoate;2-(2-cyclohexylethoxy)-5,5-dimethylheptan-4-one;(1-cyclohexyloxy-3,3-dimethylbutyl) 2,2-dimethylbutanoate;(2-methyl-1-propan-2-yloxypropyl) 2,2-dimethylbutanoate;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate)?

tetrakis(4-butan-2-ylphenol);[cyclohexyl(cyclohexyloxy)methyl] 2,2-dimethylbutanoate;2-(2-cyclohexylethoxy)-5,5-dimethylheptan-4-one;(1-cyclohexyloxy-3,3-dimethylbutyl) 2,2-dimethylbutanoate;(2-methyl-1-propan-2-yloxypropyl) 2,2-dimethylbutanoate;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate) has a molecular weight of 2213.24 g/mol, XLogP of 33.88, 40 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(4-butan-2-ylphenol);[cyclohexyl(cyclohexyloxy)methyl] 2,2-dimethylbutanoate;2-(2-cyclohexylethoxy)-5,5-dimethylheptan-4-one;(1-cyclohexyloxy-3,3-dimethylbutyl) 2,2-dimethylbutanoate;(2-methyl-1-propan-2-yloxypropyl) 2,2-dimethylbutanoate;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate) is sourced from PubChem (CID 160607598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).