1-butan-2-yl-4-tert-butylbenzene;(4-tert-butylcyclohexyl) 2-methyl-2-(trifluoromethyl)butanoate;tert-butyl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;1-fluoroethyl 2,2-dimethylbutanoate;1,1,2,2,3,3-hexafluorobutane;methane;8-tricyclo[5.2.1.02,6]decanyl 2,2-dimethylbutanoate;tris(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);trimethyl(2-methylbutyl)silane

C120H219F19O16Si — CID 158611246

About 1-butan-2-yl-4-tert-butylbenzene;(4-tert-butylcyclohexyl) 2-methyl-2-(trifluoromethyl)butanoate;tert-butyl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;1-fluoroethyl 2,2-dimethylbutanoate;1,1,2,2,3,3-hexafluorobutane;methane;8-tricyclo[5.2.1.02,6]decanyl 2,2-dimethylbutanoate;tris(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);trimethyl(2-methylbutyl)silane

1-butan-2-yl-4-tert-butylbenzene;(4-tert-butylcyclohexyl) 2-methyl-2-(trifluoromethyl)butanoate;tert-butyl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;1-fluoroethyl 2,2-dimethylbutanoate;1,1,2,2,3,3-hexafluorobutane;methane;8-tricyclo[5.2.1.02,6]decanyl 2,2-dimethylbutanoate;tris(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);trimethyl(2-methylbutyl)silane (PubChem CID 158611246) has the molecular formula C120H219F19O16Si and a molecular weight of 2307.10 g/mol. Its IUPAC name is 1-butan-2-yl-4-tert-butylbenzene;(4-tert-butylcyclohexyl) 2-methyl-2-(trifluoromethyl)butanoate;tert-butyl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;1-fluoroethyl 2,2-dimethylbutanoate;1,1,2,2,3,3-hexafluorobutane;methane;8-tricyclo[5.2.1.02,6]decanyl 2,2-dimethylbutanoate;tris(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);trimethyl(2-methylbutyl)silane.

Molecular Properties

• Compound Name: 1-butan-2-yl-4-tert-butylbenzene;(4-tert-butylcyclohexyl) 2-methyl-2-(trifluoromethyl)butanoate;tert-butyl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;1-fluoroethyl 2,2-dimethylbutanoate;1,1,2,2,3,3-hexafluorobutane;methane;8-tricyclo[5.2.1.02,6]decanyl 2,2-dimethylbutanoate;tris(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);trimethyl(2-methylbutyl)silane
• PubChem CID: 158611246
• Molecular Formula: C120H219F19O16Si
• Molecular Weight: 2307.10 g/mol
• Exact Mass: 2305.58
• IUPAC Name: 1-butan-2-yl-4-tert-butylbenzene;(4-tert-butylcyclohexyl) 2-methyl-2-(trifluoromethyl)butanoate;tert-butyl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;1-fluoroethyl 2,2-dimethylbutanoate;1,1,2,2,3,3-hexafluorobutane;methane;8-tricyclo[5.2.1.02,6]decanyl 2,2-dimethylbutanoate;tris(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);trimethyl(2-methylbutyl)silane
• SMILES: C.C.C.C.CC(F)(F)C(F)(F)C(F)F.CCC(C)(C(=O)OC1CCC(C(C)(C)C)CC1)C(F)(F)F.CCC(C)(C)C(=O)OC(C)(C)C.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)F.CCC(C)(C)C(=O)OC1CC2CC1C1CCCC21.CCC(C)C[Si](C)(C)C.CCC(C)c1ccc(C(C)(C)C)cc1.CCC1(OC(=O)C(C)(C)CC)CCCC1
• InChI: InChI=1S/C16H27F3O2.C16H26O2.C14H22.C13H24O2.C10H20O2.3C9H15F3O2.C8H15FO2.C8H20Si.C4H4F6.4CH4/c1-6-15(5,16(17,18)19)13(20)21-12-9-7-11(8-10-12)14(2,3)4;1-4-16(2,3)15(17)18-14-9-10-8-13(14)12-7-5-6-11(10)12;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;1-7-10(5,6)8(11)12-9(2,3)4;3*1-5-8(3,4)7(13)14-6(2)9(10,11)12;1-5-8(3,4)7(10)11-6(2)9;1-6-8(2)7-9(3,4)5;1-3(7,8)4(9,10)2(5)6;;;;/h11-12H,6-10H2,1-5H3;10-14H,4-9H2,1-3H3;7-11H,6H2,1-5H3;5-10H2,1-4H3;7H2,1-6H3;3*6H,5H2,1-4H3;6H,5H2,1-4H3;8H,6-7H2,1-5H3;2H,1H3;4*1H4
• InChIKey: HWWBIUFIQOGCMI-UHFFFAOYSA-N
• XLogP: 39.34
• TPSA: 210.40 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 31
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2307.10
LogP ≤ 5	39.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', '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-tert-butylcyclohexyl) 2-methyl-2-(trifluoromethyl)butanoate;tert-butyl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;1-fluoroethyl 2,2-dimethylbutanoate;1,1,2,2,3,3-hexafluorobutane;methane;8-tricyclo[5.2.1.02,6]decanyl 2,2-dimethylbutanoate;tris(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);trimethyl(2-methylbutyl)silane?

The IUPAC name of 1-butan-2-yl-4-tert-butylbenzene;(4-tert-butylcyclohexyl) 2-methyl-2-(trifluoromethyl)butanoate;tert-butyl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;1-fluoroethyl 2,2-dimethylbutanoate;1,1,2,2,3,3-hexafluorobutane;methane;8-tricyclo[5.2.1.02,6]decanyl 2,2-dimethylbutanoate;tris(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);trimethyl(2-methylbutyl)silane (CID 158611246) is 1-butan-2-yl-4-tert-butylbenzene;(4-tert-butylcyclohexyl) 2-methyl-2-(trifluoromethyl)butanoate;tert-butyl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;1-fluoroethyl 2,2-dimethylbutanoate;1,1,2,2,3,3-hexafluorobutane;methane;8-tricyclo[5.2.1.02,6]decanyl 2,2-dimethylbutanoate;tris(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);trimethyl(2-methylbutyl)silane.

What is the SMILES notation for 1-butan-2-yl-4-tert-butylbenzene;(4-tert-butylcyclohexyl) 2-methyl-2-(trifluoromethyl)butanoate;tert-butyl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;1-fluoroethyl 2,2-dimethylbutanoate;1,1,2,2,3,3-hexafluorobutane;methane;8-tricyclo[5.2.1.02,6]decanyl 2,2-dimethylbutanoate;tris(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);trimethyl(2-methylbutyl)silane?

The canonical SMILES for 1-butan-2-yl-4-tert-butylbenzene;(4-tert-butylcyclohexyl) 2-methyl-2-(trifluoromethyl)butanoate;tert-butyl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;1-fluoroethyl 2,2-dimethylbutanoate;1,1,2,2,3,3-hexafluorobutane;methane;8-tricyclo[5.2.1.02,6]decanyl 2,2-dimethylbutanoate;tris(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);trimethyl(2-methylbutyl)silane is C.C.C.C.CC(F)(F)C(F)(F)C(F)F.CCC(C)(C(=O)OC1CCC(C(C)(C)C)CC1)C(F)(F)F.CCC(C)(C)C(=O)OC(C)(C)C.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)F.CCC(C)(C)C(=O)OC1CC2CC1C1CCCC21.CCC(C)C[Si](C)(C)C.CCC(C)c1ccc(C(C)(C)C)cc1.CCC1(OC(=O)C(C)(C)CC)CCCC1.

What is the InChIKey of 1-butan-2-yl-4-tert-butylbenzene;(4-tert-butylcyclohexyl) 2-methyl-2-(trifluoromethyl)butanoate;tert-butyl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;1-fluoroethyl 2,2-dimethylbutanoate;1,1,2,2,3,3-hexafluorobutane;methane;8-tricyclo[5.2.1.02,6]decanyl 2,2-dimethylbutanoate;tris(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);trimethyl(2-methylbutyl)silane?

The InChIKey is HWWBIUFIQOGCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3O2.C16H26O2.C14H22.C13H24O2.C10H20O2.3C9H15F3O2.C8H15FO2.C8H20Si.C4H4F6.4CH4/c1-6-15(5,16(17,18)19)13(20)21-12-9-7-11(8-10-12)14(2,3)4;1-4-16(2,3)15(17)18-14-9-10-8-13(14)12-7-5-6-11(10)12;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;1-7-10(5,6)8(11)12-9(2,3)4;3*1-5-8(3,4)7(13)14-6(2)9(10,11)12;1-5-8(3,4)7(10)11-6(2)9;1-6-8(2)7-9(3,4)5;1-3(7,8)4(9,10)2(5)6;;;;/h11-12H,6-10H2,1-5H3;10-14H,4-9H2,1-3H3;7-11H,6H2,1-5H3;5-10H2,1-4H3;7H2,1-6H3;3*6H,5H2,1-4H3;6H,5H2,1-4H3;8H,6-7H2,1-5H3;2H,1H3;4*1H4.

What are the key properties of 1-butan-2-yl-4-tert-butylbenzene;(4-tert-butylcyclohexyl) 2-methyl-2-(trifluoromethyl)butanoate;tert-butyl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;1-fluoroethyl 2,2-dimethylbutanoate;1,1,2,2,3,3-hexafluorobutane;methane;8-tricyclo[5.2.1.02,6]decanyl 2,2-dimethylbutanoate;tris(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);trimethyl(2-methylbutyl)silane?

1-butan-2-yl-4-tert-butylbenzene;(4-tert-butylcyclohexyl) 2-methyl-2-(trifluoromethyl)butanoate;tert-butyl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;1-fluoroethyl 2,2-dimethylbutanoate;1,1,2,2,3,3-hexafluorobutane;methane;8-tricyclo[5.2.1.02,6]decanyl 2,2-dimethylbutanoate;tris(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);trimethyl(2-methylbutyl)silane has a molecular weight of 2307.10 g/mol, XLogP of 39.34, 31 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butan-2-yl-4-tert-butylbenzene;(4-tert-butylcyclohexyl) 2-methyl-2-(trifluoromethyl)butanoate;tert-butyl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;1-fluoroethyl 2,2-dimethylbutanoate;1,1,2,2,3,3-hexafluorobutane;methane;8-tricyclo[5.2.1.02,6]decanyl 2,2-dimethylbutanoate;tris(1,1,1-trifluoropropan-2-yl 2,2-dimethylbutanoate);trimethyl(2-methylbutyl)silane is sourced from PubChem (CID 158611246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).