3-butan-2-ylbenzenesulfonate;4-butan-2-ylbenzenesulfonate;6-butan-2-ylnaphthalen-2-ol;1-[(4-butan-2-ylphenoxy)methyl]naphthalene;4-[(4-butan-2-ylphenoxy)methyl]pyridine;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;2-cyclohexylpropan-2-yl 4-butan-2-ylbenzoate;2-(dimethylamino)ethyl 2,2-dimethylbutanoate;bis(triphenylsulfanium)

C150H181F3N2O14S4 — CID 159308781

About 3-butan-2-ylbenzenesulfonate;4-butan-2-ylbenzenesulfonate;6-butan-2-ylnaphthalen-2-ol;1-[(4-butan-2-ylphenoxy)methyl]naphthalene;4-[(4-butan-2-ylphenoxy)methyl]pyridine;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;2-cyclohexylpropan-2-yl 4-butan-2-ylbenzoate;2-(dimethylamino)ethyl 2,2-dimethylbutanoate;bis(triphenylsulfanium)

3-butan-2-ylbenzenesulfonate;4-butan-2-ylbenzenesulfonate;6-butan-2-ylnaphthalen-2-ol;1-[(4-butan-2-ylphenoxy)methyl]naphthalene;4-[(4-butan-2-ylphenoxy)methyl]pyridine;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;2-cyclohexylpropan-2-yl 4-butan-2-ylbenzoate;2-(dimethylamino)ethyl 2,2-dimethylbutanoate;bis(triphenylsulfanium) (PubChem CID 159308781) has the molecular formula C150H181F3N2O14S4 and a molecular weight of 2421.36 g/mol. Its IUPAC name is 3-butan-2-ylbenzenesulfonate;4-butan-2-ylbenzenesulfonate;6-butan-2-ylnaphthalen-2-ol;1-[(4-butan-2-ylphenoxy)methyl]naphthalene;4-[(4-butan-2-ylphenoxy)methyl]pyridine;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;2-cyclohexylpropan-2-yl 4-butan-2-ylbenzoate;2-(dimethylamino)ethyl 2,2-dimethylbutanoate;bis(triphenylsulfanium).

Molecular Properties

• Compound Name: 3-butan-2-ylbenzenesulfonate;4-butan-2-ylbenzenesulfonate;6-butan-2-ylnaphthalen-2-ol;1-[(4-butan-2-ylphenoxy)methyl]naphthalene;4-[(4-butan-2-ylphenoxy)methyl]pyridine;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;2-cyclohexylpropan-2-yl 4-butan-2-ylbenzoate;2-(dimethylamino)ethyl 2,2-dimethylbutanoate;bis(triphenylsulfanium)
• PubChem CID: 159308781
• Molecular Formula: C150H181F3N2O14S4
• Molecular Weight: 2421.36 g/mol
• Exact Mass: 2419.23
• IUPAC Name: 3-butan-2-ylbenzenesulfonate;4-butan-2-ylbenzenesulfonate;6-butan-2-ylnaphthalen-2-ol;1-[(4-butan-2-ylphenoxy)methyl]naphthalene;4-[(4-butan-2-ylphenoxy)methyl]pyridine;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;2-cyclohexylpropan-2-yl 4-butan-2-ylbenzoate;2-(dimethylamino)ethyl 2,2-dimethylbutanoate;bis(triphenylsulfanium)
• SMILES: CCC(C)(C)C(=O)OCCN(C)C.CCC(C)c1ccc(C(=O)OC(C)(C)C2CCCCC2)cc1.CCC(C)c1ccc(C(C)(O)C(F)(F)F)cc1.CCC(C)c1ccc(OCc2cccc3ccccc23)cc1.CCC(C)c1ccc(OCc2ccncc2)cc1.CCC(C)c1ccc(S(=O)(=O)[O-])cc1.CCC(C)c1ccc2cc(O)ccc2c1.CCC(C)c1cccc(S(=O)(=O)[O-])c1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C21H22O.C20H30O2.2C18H15S.C16H19NO.C14H16O.C13H17F3O.C10H21NO2.2C10H14O3S/c1-3-16(2)17-11-13-20(14-12-17)22-15-19-9-6-8-18-7-4-5-10-21(18)19;1-5-15(2)16-11-13-17(14-12-16)19(21)22-20(3,4)18-9-7-6-8-10-18;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-13(2)15-4-6-16(7-5-15)18-12-14-8-10-17-11-9-14;1-3-10(2)11-4-5-13-9-14(15)7-6-12(13)8-11;1-4-9(2)10-5-7-11(8-6-10)12(3,17)13(14,15)16;1-6-10(2,3)9(12)13-8-7-11(4)5;1-3-8(2)9-4-6-10(7-5-9)14(11,12)13;1-3-8(2)9-5-4-6-10(7-9)14(11,12)13/h4-14,16H,3,15H2,1-2H3;11-15,18H,5-10H2,1-4H3;2*1-15H;4-11,13H,3,12H2,1-2H3;4-10,15H,3H2,1-2H3;5-9,17H,4H2,1-3H3;6-8H2,1-5H3;2*4-8H,3H2,1-2H3,(H,11,12,13)/q;;2*+1;;;;;;/p-2
• InChIKey: LCGNSNSIEZSUOZ-UHFFFAOYSA-L
• XLogP: 39.15
• TPSA: 242.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 37
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2421.36
LogP ≤ 5	39.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-ylbenzenesulfonate;4-butan-2-ylbenzenesulfonate;6-butan-2-ylnaphthalen-2-ol;1-[(4-butan-2-ylphenoxy)methyl]naphthalene;4-[(4-butan-2-ylphenoxy)methyl]pyridine;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;2-cyclohexylpropan-2-yl 4-butan-2-ylbenzoate;2-(dimethylamino)ethyl 2,2-dimethylbutanoate;bis(triphenylsulfanium)?

The IUPAC name of 3-butan-2-ylbenzenesulfonate;4-butan-2-ylbenzenesulfonate;6-butan-2-ylnaphthalen-2-ol;1-[(4-butan-2-ylphenoxy)methyl]naphthalene;4-[(4-butan-2-ylphenoxy)methyl]pyridine;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;2-cyclohexylpropan-2-yl 4-butan-2-ylbenzoate;2-(dimethylamino)ethyl 2,2-dimethylbutanoate;bis(triphenylsulfanium) (CID 159308781) is 3-butan-2-ylbenzenesulfonate;4-butan-2-ylbenzenesulfonate;6-butan-2-ylnaphthalen-2-ol;1-[(4-butan-2-ylphenoxy)methyl]naphthalene;4-[(4-butan-2-ylphenoxy)methyl]pyridine;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;2-cyclohexylpropan-2-yl 4-butan-2-ylbenzoate;2-(dimethylamino)ethyl 2,2-dimethylbutanoate;bis(triphenylsulfanium).

What is the SMILES notation for 3-butan-2-ylbenzenesulfonate;4-butan-2-ylbenzenesulfonate;6-butan-2-ylnaphthalen-2-ol;1-[(4-butan-2-ylphenoxy)methyl]naphthalene;4-[(4-butan-2-ylphenoxy)methyl]pyridine;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;2-cyclohexylpropan-2-yl 4-butan-2-ylbenzoate;2-(dimethylamino)ethyl 2,2-dimethylbutanoate;bis(triphenylsulfanium)?

The canonical SMILES for 3-butan-2-ylbenzenesulfonate;4-butan-2-ylbenzenesulfonate;6-butan-2-ylnaphthalen-2-ol;1-[(4-butan-2-ylphenoxy)methyl]naphthalene;4-[(4-butan-2-ylphenoxy)methyl]pyridine;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;2-cyclohexylpropan-2-yl 4-butan-2-ylbenzoate;2-(dimethylamino)ethyl 2,2-dimethylbutanoate;bis(triphenylsulfanium) is CCC(C)(C)C(=O)OCCN(C)C.CCC(C)c1ccc(C(=O)OC(C)(C)C2CCCCC2)cc1.CCC(C)c1ccc(C(C)(O)C(F)(F)F)cc1.CCC(C)c1ccc(OCc2cccc3ccccc23)cc1.CCC(C)c1ccc(OCc2ccncc2)cc1.CCC(C)c1ccc(S(=O)(=O)[O-])cc1.CCC(C)c1ccc2cc(O)ccc2c1.CCC(C)c1cccc(S(=O)(=O)[O-])c1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 3-butan-2-ylbenzenesulfonate;4-butan-2-ylbenzenesulfonate;6-butan-2-ylnaphthalen-2-ol;1-[(4-butan-2-ylphenoxy)methyl]naphthalene;4-[(4-butan-2-ylphenoxy)methyl]pyridine;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;2-cyclohexylpropan-2-yl 4-butan-2-ylbenzoate;2-(dimethylamino)ethyl 2,2-dimethylbutanoate;bis(triphenylsulfanium)?

The InChIKey is LCGNSNSIEZSUOZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H22O.C20H30O2.2C18H15S.C16H19NO.C14H16O.C13H17F3O.C10H21NO2.2C10H14O3S/c1-3-16(2)17-11-13-20(14-12-17)22-15-19-9-6-8-18-7-4-5-10-21(18)19;1-5-15(2)16-11-13-17(14-12-16)19(21)22-20(3,4)18-9-7-6-8-10-18;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-13(2)15-4-6-16(7-5-15)18-12-14-8-10-17-11-9-14;1-3-10(2)11-4-5-13-9-14(15)7-6-12(13)8-11;1-4-9(2)10-5-7-11(8-6-10)12(3,17)13(14,15)16;1-6-10(2,3)9(12)13-8-7-11(4)5;1-3-8(2)9-4-6-10(7-5-9)14(11,12)13;1-3-8(2)9-5-4-6-10(7-9)14(11,12)13/h4-14,16H,3,15H2,1-2H3;11-15,18H,5-10H2,1-4H3;2*1-15H;4-11,13H,3,12H2,1-2H3;4-10,15H,3H2,1-2H3;5-9,17H,4H2,1-3H3;6-8H2,1-5H3;2*4-8H,3H2,1-2H3,(H,11,12,13)/q;;2*+1;;;;;;/p-2.

What are the key properties of 3-butan-2-ylbenzenesulfonate;4-butan-2-ylbenzenesulfonate;6-butan-2-ylnaphthalen-2-ol;1-[(4-butan-2-ylphenoxy)methyl]naphthalene;4-[(4-butan-2-ylphenoxy)methyl]pyridine;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;2-cyclohexylpropan-2-yl 4-butan-2-ylbenzoate;2-(dimethylamino)ethyl 2,2-dimethylbutanoate;bis(triphenylsulfanium)?

3-butan-2-ylbenzenesulfonate;4-butan-2-ylbenzenesulfonate;6-butan-2-ylnaphthalen-2-ol;1-[(4-butan-2-ylphenoxy)methyl]naphthalene;4-[(4-butan-2-ylphenoxy)methyl]pyridine;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;2-cyclohexylpropan-2-yl 4-butan-2-ylbenzoate;2-(dimethylamino)ethyl 2,2-dimethylbutanoate;bis(triphenylsulfanium) has a molecular weight of 2421.36 g/mol, XLogP of 39.15, 37 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-butan-2-ylbenzenesulfonate;4-butan-2-ylbenzenesulfonate;6-butan-2-ylnaphthalen-2-ol;1-[(4-butan-2-ylphenoxy)methyl]naphthalene;4-[(4-butan-2-ylphenoxy)methyl]pyridine;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;2-cyclohexylpropan-2-yl 4-butan-2-ylbenzoate;2-(dimethylamino)ethyl 2,2-dimethylbutanoate;bis(triphenylsulfanium) is sourced from PubChem (CID 159308781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).