1-butan-2-yl-4-tert-butylbenzene;(4-butan-2-ylphenyl)methyl-trimethylsilane;2,4-dimethylpentan-3-yl 2,2-dimethylbutanoate;bis(1,1,1,3,3,3-hexafluoropropan-2-yl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate);bis(oxolan-2-yl 2,2-dimethylbutanoate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;propan-2-yl 2,2-dimethylbutanoate;2,2,3,3-tetrafluoropropyl 2,2-dimethylbutanoate;1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate

C138H215F19O30Si — CID 162001730

About 1-butan-2-yl-4-tert-butylbenzene;(4-butan-2-ylphenyl)methyl-trimethylsilane;2,4-dimethylpentan-3-yl 2,2-dimethylbutanoate;bis(1,1,1,3,3,3-hexafluoropropan-2-yl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate);bis(oxolan-2-yl 2,2-dimethylbutanoate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;propan-2-yl 2,2-dimethylbutanoate;2,2,3,3-tetrafluoropropyl 2,2-dimethylbutanoate;1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate

1-butan-2-yl-4-tert-butylbenzene;(4-butan-2-ylphenyl)methyl-trimethylsilane;2,4-dimethylpentan-3-yl 2,2-dimethylbutanoate;bis(1,1,1,3,3,3-hexafluoropropan-2-yl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate);bis(oxolan-2-yl 2,2-dimethylbutanoate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;propan-2-yl 2,2-dimethylbutanoate;2,2,3,3-tetrafluoropropyl 2,2-dimethylbutanoate;1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate (PubChem CID 162001730) has the molecular formula C138H215F19O30Si and a molecular weight of 2743.26 g/mol. Its IUPAC name is 1-butan-2-yl-4-tert-butylbenzene;(4-butan-2-ylphenyl)methyl-trimethylsilane;2,4-dimethylpentan-3-yl 2,2-dimethylbutanoate;bis(1,1,1,3,3,3-hexafluoropropan-2-yl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate);bis(oxolan-2-yl 2,2-dimethylbutanoate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;propan-2-yl 2,2-dimethylbutanoate;2,2,3,3-tetrafluoropropyl 2,2-dimethylbutanoate;1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: 1-butan-2-yl-4-tert-butylbenzene;(4-butan-2-ylphenyl)methyl-trimethylsilane;2,4-dimethylpentan-3-yl 2,2-dimethylbutanoate;bis(1,1,1,3,3,3-hexafluoropropan-2-yl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate);bis(oxolan-2-yl 2,2-dimethylbutanoate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;propan-2-yl 2,2-dimethylbutanoate;2,2,3,3-tetrafluoropropyl 2,2-dimethylbutanoate;1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate
• PubChem CID: 162001730
• Molecular Formula: C138H215F19O30Si
• Molecular Weight: 2743.26 g/mol
• Exact Mass: 2741.48
• IUPAC Name: 1-butan-2-yl-4-tert-butylbenzene;(4-butan-2-ylphenyl)methyl-trimethylsilane;2,4-dimethylpentan-3-yl 2,2-dimethylbutanoate;bis(1,1,1,3,3,3-hexafluoropropan-2-yl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate);bis(oxolan-2-yl 2,2-dimethylbutanoate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;propan-2-yl 2,2-dimethylbutanoate;2,2,3,3-tetrafluoropropyl 2,2-dimethylbutanoate;1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate
• SMILES: CCC(C)(C)C(=O)OC(C(C)C)C(C)C.CCC(C)(C)C(=O)OC(C)C.CCC(C)(C)C(=O)OC(C)C(F)(F)F.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1C2CC3C1OC(=O)C3(C(=O)OC(C(F)(F)F)C(F)(F)F)C2.CCC(C)(C)C(=O)OC1C2CC3C1OC(=O)C3(C(=O)OC(C(F)(F)F)C(F)(F)F)C2.CCC(C)(C)C(=O)OC1CCCO1.CCC(C)(C)C(=O)OC1CCCO1.CCC(C)(C)C(=O)OCC(F)(F)C(F)F.CCC(C)c1ccc(C(C)(C)C)cc1.CCC(C)c1ccc(C[Si](C)(C)C)cc1
• InChI: InChI=1S/2C18H20F6O6.C14H20O4.C14H24Si.C14H22.C13H26O2.2C10H18O3.C9H14F4O2.C9H15F3O2.C9H18O2/c2*1-4-15(2,3)12(25)28-9-7-5-8-10(9)29-13(26)16(8,6-7)14(27)30-11(17(19,20)21)18(22,23)24;1-4-14(2,3)13(16)18-10-7-5-8-9(6-7)12(15)17-11(8)10;1-6-12(2)14-9-7-13(8-10-14)11-15(3,4)5;1-6-11(2)12-7-9-13(10-8-12)14(3,4)5;1-8-13(6,7)12(14)15-11(9(2)3)10(4)5;2*1-4-10(2,3)9(11)13-8-6-5-7-12-8;1-4-8(2,3)7(14)15-5-9(12,13)6(10)11;1-5-8(3,4)7(13)14-6(2)9(10,11)12;1-6-9(4,5)8(10)11-7(2)3/h2*7-11H,4-6H2,1-3H3;7-11H,4-6H2,1-3H3;7-10,12H,6,11H2,1-5H3;7-11H,6H2,1-5H3;9-11H,8H2,1-7H3;2*8H,4-7H2,1-3H3;6H,4-5H2,1-3H3;6H,5H2,1-4H3;7H,6H2,1-5H3
• InChIKey: YSHOGTKOZBHFTA-UHFFFAOYSA-N
• XLogP: 33.69
• TPSA: 386.66 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 41
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2743.26
LogP ≤ 5	33.69
H-Bond Donors ≤ 5	0
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-tert-butylbenzene;(4-butan-2-ylphenyl)methyl-trimethylsilane;2,4-dimethylpentan-3-yl 2,2-dimethylbutanoate;bis(1,1,1,3,3,3-hexafluoropropan-2-yl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate);bis(oxolan-2-yl 2,2-dimethylbutanoate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;propan-2-yl 2,2-dimethylbutanoate;2,2,3,3-tetrafluoropropyl 2,2-dimethylbutanoate;1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate?

The IUPAC name of 1-butan-2-yl-4-tert-butylbenzene;(4-butan-2-ylphenyl)methyl-trimethylsilane;2,4-dimethylpentan-3-yl 2,2-dimethylbutanoate;bis(1,1,1,3,3,3-hexafluoropropan-2-yl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate);bis(oxolan-2-yl 2,2-dimethylbutanoate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;propan-2-yl 2,2-dimethylbutanoate;2,2,3,3-tetrafluoropropyl 2,2-dimethylbutanoate;1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate (CID 162001730) is 1-butan-2-yl-4-tert-butylbenzene;(4-butan-2-ylphenyl)methyl-trimethylsilane;2,4-dimethylpentan-3-yl 2,2-dimethylbutanoate;bis(1,1,1,3,3,3-hexafluoropropan-2-yl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate);bis(oxolan-2-yl 2,2-dimethylbutanoate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;propan-2-yl 2,2-dimethylbutanoate;2,2,3,3-tetrafluoropropyl 2,2-dimethylbutanoate;1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate.

What is the SMILES notation for 1-butan-2-yl-4-tert-butylbenzene;(4-butan-2-ylphenyl)methyl-trimethylsilane;2,4-dimethylpentan-3-yl 2,2-dimethylbutanoate;bis(1,1,1,3,3,3-hexafluoropropan-2-yl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate);bis(oxolan-2-yl 2,2-dimethylbutanoate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;propan-2-yl 2,2-dimethylbutanoate;2,2,3,3-tetrafluoropropyl 2,2-dimethylbutanoate;1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate?

The canonical SMILES for 1-butan-2-yl-4-tert-butylbenzene;(4-butan-2-ylphenyl)methyl-trimethylsilane;2,4-dimethylpentan-3-yl 2,2-dimethylbutanoate;bis(1,1,1,3,3,3-hexafluoropropan-2-yl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate);bis(oxolan-2-yl 2,2-dimethylbutanoate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;propan-2-yl 2,2-dimethylbutanoate;2,2,3,3-tetrafluoropropyl 2,2-dimethylbutanoate;1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC(C(C)C)C(C)C.CCC(C)(C)C(=O)OC(C)C.CCC(C)(C)C(=O)OC(C)C(F)(F)F.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OC1C2CC3C1OC(=O)C3(C(=O)OC(C(F)(F)F)C(F)(F)F)C2.CCC(C)(C)C(=O)OC1C2CC3C1OC(=O)C3(C(=O)OC(C(F)(F)F)C(F)(F)F)C2.CCC(C)(C)C(=O)OC1CCCO1.CCC(C)(C)C(=O)OC1CCCO1.CCC(C)(C)C(=O)OCC(F)(F)C(F)F.CCC(C)c1ccc(C(C)(C)C)cc1.CCC(C)c1ccc(C[Si](C)(C)C)cc1.

What is the InChIKey of 1-butan-2-yl-4-tert-butylbenzene;(4-butan-2-ylphenyl)methyl-trimethylsilane;2,4-dimethylpentan-3-yl 2,2-dimethylbutanoate;bis(1,1,1,3,3,3-hexafluoropropan-2-yl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate);bis(oxolan-2-yl 2,2-dimethylbutanoate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;propan-2-yl 2,2-dimethylbutanoate;2,2,3,3-tetrafluoropropyl 2,2-dimethylbutanoate;1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate?

The InChIKey is YSHOGTKOZBHFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H20F6O6.C14H20O4.C14H24Si.C14H22.C13H26O2.2C10H18O3.C9H14F4O2.C9H15F3O2.C9H18O2/c2*1-4-15(2,3)12(25)28-9-7-5-8-10(9)29-13(26)16(8,6-7)14(27)30-11(17(19,20)21)18(22,23)24;1-4-14(2,3)13(16)18-10-7-5-8-9(6-7)12(15)17-11(8)10;1-6-12(2)14-9-7-13(8-10-14)11-15(3,4)5;1-6-11(2)12-7-9-13(10-8-12)14(3,4)5;1-8-13(6,7)12(14)15-11(9(2)3)10(4)5;2*1-4-10(2,3)9(11)13-8-6-5-7-12-8;1-4-8(2,3)7(14)15-5-9(12,13)6(10)11;1-5-8(3,4)7(13)14-6(2)9(10,11)12;1-6-9(4,5)8(10)11-7(2)3/h2*7-11H,4-6H2,1-3H3;7-11H,4-6H2,1-3H3;7-10,12H,6,11H2,1-5H3;7-11H,6H2,1-5H3;9-11H,8H2,1-7H3;2*8H,4-7H2,1-3H3;6H,4-5H2,1-3H3;6H,5H2,1-4H3;7H,6H2,1-5H3.

What are the key properties of 1-butan-2-yl-4-tert-butylbenzene;(4-butan-2-ylphenyl)methyl-trimethylsilane;2,4-dimethylpentan-3-yl 2,2-dimethylbutanoate;bis(1,1,1,3,3,3-hexafluoropropan-2-yl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate);bis(oxolan-2-yl 2,2-dimethylbutanoate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;propan-2-yl 2,2-dimethylbutanoate;2,2,3,3-tetrafluoropropyl 2,2-dimethylbutanoate;1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate?

1-butan-2-yl-4-tert-butylbenzene;(4-butan-2-ylphenyl)methyl-trimethylsilane;2,4-dimethylpentan-3-yl 2,2-dimethylbutanoate;bis(1,1,1,3,3,3-hexafluoropropan-2-yl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate);bis(oxolan-2-yl 2,2-dimethylbutanoate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;propan-2-yl 2,2-dimethylbutanoate;2,2,3,3-tetrafluoropropyl 2,2-dimethylbutanoate;1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate has a molecular weight of 2743.26 g/mol, XLogP of 33.69, 41 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butan-2-yl-4-tert-butylbenzene;(4-butan-2-ylphenyl)methyl-trimethylsilane;2,4-dimethylpentan-3-yl 2,2-dimethylbutanoate;bis(1,1,1,3,3,3-hexafluoropropan-2-yl 2-(2,2-dimethylbutanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carboxylate);bis(oxolan-2-yl 2,2-dimethylbutanoate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;propan-2-yl 2,2-dimethylbutanoate;2,2,3,3-tetrafluoropropyl 2,2-dimethylbutanoate;1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate is sourced from PubChem (CID 162001730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).