6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;3-[4-(3,3-dimethyl-2-oxopentyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;triphenylsulfanium

C120H140F6NO19S4+ — CID 159101860

About 6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;3-[4-(3,3-dimethyl-2-oxopentyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;triphenylsulfanium

6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;3-[4-(3,3-dimethyl-2-oxopentyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;triphenylsulfanium (PubChem CID 159101860) has the molecular formula C120H140F6NO19S4+ and a molecular weight of 2142.68 g/mol. Its IUPAC name is 6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;3-[4-(3,3-dimethyl-2-oxopentyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;triphenylsulfanium.

Molecular Properties

• Compound Name: 6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;3-[4-(3,3-dimethyl-2-oxopentyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;triphenylsulfanium
• PubChem CID: 159101860
• Molecular Formula: C120H140F6NO19S4+
• Molecular Weight: 2142.68 g/mol
• Exact Mass: 2140.88
• IUPAC Name: 6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;3-[4-(3,3-dimethyl-2-oxopentyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;triphenylsulfanium
• SMILES: CCC(C)(C)C(=O)Cc1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.CCC(C)(C)C(=O)OC1C2CC3C1OC(=O)C3(C#N)C2.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC2CCOC2=O)cc1.CCC(C)c1ccc2cc(O)ccc2c1.CCC1(OC(=O)C(C)(C)CC)CCCC1.OCCc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C20H17OS.C18H15S.C16H18F6O7S2.C15H19NO4.C14H18O3.C14H16O.C13H24O2.C10H14O/c21-14-13-15-9-11-16(12-10-15)22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-13(2,3)12(23)9-10-5-7-11(8-6-10)29-31(27,28)16(21,22)14(17,18)15(19,20)30(24,25)26;1-4-14(2,3)12(17)19-10-8-5-9-11(10)20-13(18)15(9,6-8)7-16;1-3-10(2)11-4-6-12(7-5-11)17-13-8-9-16-14(13)15;1-3-10(2)11-4-5-13-9-14(15)7-6-12(13)8-11;1-5-12(3,4)11(14)15-13(6-2)9-7-8-10-13;1-3-8(2)9-4-6-10(11)7-5-9/h1-12,21H,13-14H2;1-15H;5-8H,4,9H2,1-3H3,(H,24,25,26);8-11H,4-6H2,1-3H3;4-7,10,13H,3,8-9H2,1-2H3;4-10,15H,3H2,1-2H3;5-10H2,1-4H3;4-8,11H,3H2,1-2H3/q2*+1;;;;;;/p-1
• InChIKey: KDJRLURSHLCAFG-UHFFFAOYSA-M
• XLogP: 28.71
• TPSA: 316.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 31
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2142.68
LogP ≤ 5	28.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;3-[4-(3,3-dimethyl-2-oxopentyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;triphenylsulfanium?

The IUPAC name of 6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;3-[4-(3,3-dimethyl-2-oxopentyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;triphenylsulfanium (CID 159101860) is 6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;3-[4-(3,3-dimethyl-2-oxopentyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;triphenylsulfanium.

What is the SMILES notation for 6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;3-[4-(3,3-dimethyl-2-oxopentyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;triphenylsulfanium?

The canonical SMILES for 6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;3-[4-(3,3-dimethyl-2-oxopentyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;triphenylsulfanium is CCC(C)(C)C(=O)Cc1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.CCC(C)(C)C(=O)OC1C2CC3C1OC(=O)C3(C#N)C2.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC2CCOC2=O)cc1.CCC(C)c1ccc2cc(O)ccc2c1.CCC1(OC(=O)C(C)(C)CC)CCCC1.OCCc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;3-[4-(3,3-dimethyl-2-oxopentyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;triphenylsulfanium?

The InChIKey is KDJRLURSHLCAFG-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H17OS.C18H15S.C16H18F6O7S2.C15H19NO4.C14H18O3.C14H16O.C13H24O2.C10H14O/c21-14-13-15-9-11-16(12-10-15)22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-13(2,3)12(23)9-10-5-7-11(8-6-10)29-31(27,28)16(21,22)14(17,18)15(19,20)30(24,25)26;1-4-14(2,3)12(17)19-10-8-5-9-11(10)20-13(18)15(9,6-8)7-16;1-3-10(2)11-4-6-12(7-5-11)17-13-8-9-16-14(13)15;1-3-10(2)11-4-5-13-9-14(15)7-6-12(13)8-11;1-5-12(3,4)11(14)15-13(6-2)9-7-8-10-13;1-3-8(2)9-4-6-10(11)7-5-9/h1-12,21H,13-14H2;1-15H;5-8H,4,9H2,1-3H3,(H,24,25,26);8-11H,4-6H2,1-3H3;4-7,10,13H,3,8-9H2,1-2H3;4-10,15H,3H2,1-2H3;5-10H2,1-4H3;4-8,11H,3H2,1-2H3/q2*+1;;;;;;/p-1.

What are the key properties of 6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;3-[4-(3,3-dimethyl-2-oxopentyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;triphenylsulfanium?

6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;3-[4-(3,3-dimethyl-2-oxopentyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;triphenylsulfanium has a molecular weight of 2142.68 g/mol, XLogP of 28.71, 31 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;3-(4-butan-2-ylphenoxy)oxolan-2-one;(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;3-[4-(3,3-dimethyl-2-oxopentyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;triphenylsulfanium is sourced from PubChem (CID 159101860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).