1-butan-2-yl-4-tert-butylbenzene;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2,3-dimethylbicyclo[2.2.1]heptane;2,2-dimethylbutanoic acid;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;2-ethylhexyl 2,2-dimethylbutanoate;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;2-methylbutane;(5,5,5-trifluoro-4-methylpentan-2-yl) 2,2-dimethylbutanoate;tris(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);trimethylsilane

C131H227F21O22Si — CID 158664665

About 1-butan-2-yl-4-tert-butylbenzene;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2,3-dimethylbicyclo[2.2.1]heptane;2,2-dimethylbutanoic acid;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;2-ethylhexyl 2,2-dimethylbutanoate;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;2-methylbutane;(5,5,5-trifluoro-4-methylpentan-2-yl) 2,2-dimethylbutanoate;tris(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);trimethylsilane

1-butan-2-yl-4-tert-butylbenzene;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2,3-dimethylbicyclo[2.2.1]heptane;2,2-dimethylbutanoic acid;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;2-ethylhexyl 2,2-dimethylbutanoate;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;2-methylbutane;(5,5,5-trifluoro-4-methylpentan-2-yl) 2,2-dimethylbutanoate;tris(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);trimethylsilane (PubChem CID 158664665) has the molecular formula C131H227F21O22Si and a molecular weight of 2581.28 g/mol. Its IUPAC name is 1-butan-2-yl-4-tert-butylbenzene;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2,3-dimethylbicyclo[2.2.1]heptane;2,2-dimethylbutanoic acid;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;2-ethylhexyl 2,2-dimethylbutanoate;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;2-methylbutane;(5,5,5-trifluoro-4-methylpentan-2-yl) 2,2-dimethylbutanoate;tris(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);trimethylsilane.

Molecular Properties

• Compound Name: 1-butan-2-yl-4-tert-butylbenzene;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2,3-dimethylbicyclo[2.2.1]heptane;2,2-dimethylbutanoic acid;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;2-ethylhexyl 2,2-dimethylbutanoate;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;2-methylbutane;(5,5,5-trifluoro-4-methylpentan-2-yl) 2,2-dimethylbutanoate;tris(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);trimethylsilane
• PubChem CID: 158664665
• Molecular Formula: C131H227F21O22Si
• Molecular Weight: 2581.28 g/mol
• Exact Mass: 2579.61
• IUPAC Name: 1-butan-2-yl-4-tert-butylbenzene;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2,3-dimethylbicyclo[2.2.1]heptane;2,2-dimethylbutanoic acid;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;2-ethylhexyl 2,2-dimethylbutanoate;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;2-methylbutane;(5,5,5-trifluoro-4-methylpentan-2-yl) 2,2-dimethylbutanoate;tris(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);trimethylsilane
• SMILES: CC1C2CCC(C2)C1C.CCC(C)(C(=O)OC(C)(C)C)C(F)(F)F.CCC(C)(C)C(=O)O.CCC(C)(C)C(=O)OC(C)C(F)(F)F.CCC(C)(C)C(=O)OC(C)C(F)(F)F.CCC(C)(C)C(=O)OC(C)C(F)(F)F.CCC(C)(C)C(=O)OC(C)CC(C)C(F)(F)F.CCC(C)(C)C(=O)OC1C2CC3C1OC(=O)C3(C(=O)OC(C(F)(F)F)C(F)(F)F)C2.CCC(C)C.CCC(C)c1ccc(C(C)(C)C)cc1.CCC1(OC(=O)C(C)(C)CC)CCCC1.CCCCC(CC)COC(=O)C(C)(C)CC.C[SiH](C)C
• InChI: InChI=1S/C18H20F6O6.C14H28O2.C14H22.C13H24O2.C12H21F3O2.C10H17F3O2.3C9H15F3O2.C9H16.C6H12O2.C5H12.C3H10Si/c1-4-15(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;1-6-9-10-12(7-2)11-16-13(15)14(4,5)8-3;1-6-11(2)12-7-9-13(10-8-12)14(3,4)5;1-5-12(3,4)11(14)15-13(6-2)9-7-8-10-13;1-6-11(4,5)10(16)17-9(3)7-8(2)12(13,14)15;1-6-9(5,10(11,12)13)7(14)15-8(2,3)4;3*1-5-8(3,4)7(13)14-6(2)9(10,11)12;1-6-7(2)9-4-3-8(6)5-9;1-4-6(2,3)5(7)8;1-4-5(2)3;1-4(2)3/h7-11H,4-6H2,1-3H3;12H,6-11H2,1-5H3;7-11H,6H2,1-5H3;5-10H2,1-4H3;8-9H,6-7H2,1-5H3;6H2,1-5H3;3*6H,5H2,1-4H3;6-9H,3-5H2,1-2H3;4H2,1-3H3,(H,7,8);5H,4H2,1-3H3;4H,1-3H3
• InChIKey: IDERSUHLSVSRIV-UHFFFAOYSA-N
• XLogP: 39.04
• TPSA: 300.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 38
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2581.28
LogP ≤ 5	39.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

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'}

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-tert-butylbenzene;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2,3-dimethylbicyclo[2.2.1]heptane;2,2-dimethylbutanoic acid;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;2-ethylhexyl 2,2-dimethylbutanoate;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;2-methylbutane;(5,5,5-trifluoro-4-methylpentan-2-yl) 2,2-dimethylbutanoate;tris(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);trimethylsilane?

The IUPAC name of 1-butan-2-yl-4-tert-butylbenzene;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2,3-dimethylbicyclo[2.2.1]heptane;2,2-dimethylbutanoic acid;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;2-ethylhexyl 2,2-dimethylbutanoate;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;2-methylbutane;(5,5,5-trifluoro-4-methylpentan-2-yl) 2,2-dimethylbutanoate;tris(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);trimethylsilane (CID 158664665) is 1-butan-2-yl-4-tert-butylbenzene;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2,3-dimethylbicyclo[2.2.1]heptane;2,2-dimethylbutanoic acid;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;2-ethylhexyl 2,2-dimethylbutanoate;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;2-methylbutane;(5,5,5-trifluoro-4-methylpentan-2-yl) 2,2-dimethylbutanoate;tris(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);trimethylsilane.

What is the SMILES notation for 1-butan-2-yl-4-tert-butylbenzene;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2,3-dimethylbicyclo[2.2.1]heptane;2,2-dimethylbutanoic acid;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;2-ethylhexyl 2,2-dimethylbutanoate;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;2-methylbutane;(5,5,5-trifluoro-4-methylpentan-2-yl) 2,2-dimethylbutanoate;tris(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);trimethylsilane?

The canonical SMILES for 1-butan-2-yl-4-tert-butylbenzene;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2,3-dimethylbicyclo[2.2.1]heptane;2,2-dimethylbutanoic acid;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;2-ethylhexyl 2,2-dimethylbutanoate;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;2-methylbutane;(5,5,5-trifluoro-4-methylpentan-2-yl) 2,2-dimethylbutanoate;tris(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);trimethylsilane is CC1C2CCC(C2)C1C.CCC(C)(C(=O)OC(C)(C)C)C(F)(F)F.CCC(C)(C)C(=O)O.CCC(C)(C)C(=O)OC(C)C(F)(F)F.CCC(C)(C)C(=O)OC(C)C(F)(F)F.CCC(C)(C)C(=O)OC(C)C(F)(F)F.CCC(C)(C)C(=O)OC(C)CC(C)C(F)(F)F.CCC(C)(C)C(=O)OC1C2CC3C1OC(=O)C3(C(=O)OC(C(F)(F)F)C(F)(F)F)C2.CCC(C)C.CCC(C)c1ccc(C(C)(C)C)cc1.CCC1(OC(=O)C(C)(C)CC)CCCC1.CCCCC(CC)COC(=O)C(C)(C)CC.C[SiH](C)C.

What is the InChIKey of 1-butan-2-yl-4-tert-butylbenzene;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2,3-dimethylbicyclo[2.2.1]heptane;2,2-dimethylbutanoic acid;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;2-ethylhexyl 2,2-dimethylbutanoate;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;2-methylbutane;(5,5,5-trifluoro-4-methylpentan-2-yl) 2,2-dimethylbutanoate;tris(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);trimethylsilane?

The InChIKey is IDERSUHLSVSRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F6O6.C14H28O2.C14H22.C13H24O2.C12H21F3O2.C10H17F3O2.3C9H15F3O2.C9H16.C6H12O2.C5H12.C3H10Si/c1-4-15(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;1-6-9-10-12(7-2)11-16-13(15)14(4,5)8-3;1-6-11(2)12-7-9-13(10-8-12)14(3,4)5;1-5-12(3,4)11(14)15-13(6-2)9-7-8-10-13;1-6-11(4,5)10(16)17-9(3)7-8(2)12(13,14)15;1-6-9(5,10(11,12)13)7(14)15-8(2,3)4;3*1-5-8(3,4)7(13)14-6(2)9(10,11)12;1-6-7(2)9-4-3-8(6)5-9;1-4-6(2,3)5(7)8;1-4-5(2)3;1-4(2)3/h7-11H,4-6H2,1-3H3;12H,6-11H2,1-5H3;7-11H,6H2,1-5H3;5-10H2,1-4H3;8-9H,6-7H2,1-5H3;6H2,1-5H3;3*6H,5H2,1-4H3;6-9H,3-5H2,1-2H3;4H2,1-3H3,(H,7,8);5H,4H2,1-3H3;4H,1-3H3.

What are the key properties of 1-butan-2-yl-4-tert-butylbenzene;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2,3-dimethylbicyclo[2.2.1]heptane;2,2-dimethylbutanoic acid;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;2-ethylhexyl 2,2-dimethylbutanoate;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;2-methylbutane;(5,5,5-trifluoro-4-methylpentan-2-yl) 2,2-dimethylbutanoate;tris(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);trimethylsilane?

1-butan-2-yl-4-tert-butylbenzene;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2,3-dimethylbicyclo[2.2.1]heptane;2,2-dimethylbutanoic acid;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;2-ethylhexyl 2,2-dimethylbutanoate;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;2-methylbutane;(5,5,5-trifluoro-4-methylpentan-2-yl) 2,2-dimethylbutanoate;tris(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);trimethylsilane has a molecular weight of 2581.28 g/mol, XLogP of 39.04, 38 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butan-2-yl-4-tert-butylbenzene;tert-butyl 2-methyl-2-(trifluoromethyl)butanoate;2,3-dimethylbicyclo[2.2.1]heptane;2,2-dimethylbutanoic acid;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;2-ethylhexyl 2,2-dimethylbutanoate;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;2-methylbutane;(5,5,5-trifluoro-4-methylpentan-2-yl) 2,2-dimethylbutanoate;tris(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);trimethylsilane is sourced from PubChem (CID 158664665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).