1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;6-butan-2-ylnaphthalen-2-ol;bis(4-butan-2-ylphenol);3-[4-(2,2-dimethylbutanoyloxycarbonyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-[4-(2,2-dimethylbutanoyloxysulfonyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;formaldehyde;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;triphenylsulfanium

C127H151F12O33S6- — CID 158116692

About 1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;6-butan-2-ylnaphthalen-2-ol;bis(4-butan-2-ylphenol);3-[4-(2,2-dimethylbutanoyloxycarbonyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-[4-(2,2-dimethylbutanoyloxysulfonyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;formaldehyde;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;triphenylsulfanium

1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;6-butan-2-ylnaphthalen-2-ol;bis(4-butan-2-ylphenol);3-[4-(2,2-dimethylbutanoyloxycarbonyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-[4-(2,2-dimethylbutanoyloxysulfonyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;formaldehyde;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;triphenylsulfanium (PubChem CID 158116692) has the molecular formula C127H151F12O33S6- and a molecular weight of 2625.95 g/mol. Its IUPAC name is 1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;6-butan-2-ylnaphthalen-2-ol;bis(4-butan-2-ylphenol);3-[4-(2,2-dimethylbutanoyloxycarbonyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-[4-(2,2-dimethylbutanoyloxysulfonyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;formaldehyde;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;triphenylsulfanium.

Molecular Properties

• Compound Name: 1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;6-butan-2-ylnaphthalen-2-ol;bis(4-butan-2-ylphenol);3-[4-(2,2-dimethylbutanoyloxycarbonyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-[4-(2,2-dimethylbutanoyloxysulfonyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;formaldehyde;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;triphenylsulfanium
• PubChem CID: 158116692
• Molecular Formula: C127H151F12O33S6-
• Molecular Weight: 2625.95 g/mol
• Exact Mass: 2623.83
• IUPAC Name: 1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;6-butan-2-ylnaphthalen-2-ol;bis(4-butan-2-ylphenol);3-[4-(2,2-dimethylbutanoyloxycarbonyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-[4-(2,2-dimethylbutanoyloxysulfonyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;formaldehyde;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;triphenylsulfanium
• SMILES: C=O.C=O.CCC(C)(C)C(=O)OC(=O)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.CCC(C)(C)C(=O)OCC(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OS(=O)(=O)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(C)OCCOc2ccc(C3CCCCC3)cc2)cc1.CCC(C)c1ccc2cc(O)ccc2c1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C26H36O3.C18H15S.C16H16F6O9S2.C16H22O6.C15H16F6O10S3.C14H16O.2C10H14O.2CH2O/c1-4-20(2)22-10-16-26(17-11-22)29-21(3)27-18-19-28-25-14-12-24(13-15-25)23-8-6-5-7-9-23;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(24)30-11(23)9-5-7-10(8-6-9)31-33(28,29)16(21,22)14(17,18)15(19,20)32(25,26)27;1-4-16(2,3)15(19)20-7-11(17)21-12-8-5-9-10(6-8)14(18)22-13(9)12;1-4-12(2,3)11(22)31-32(23,24)10-7-5-9(6-8-10)30-34(28,29)15(20,21)13(16,17)14(18,19)33(25,26)27;1-3-10(2)11-4-5-13-9-14(15)7-6-12(13)8-11;2*1-3-8(2)9-4-6-10(11)7-5-9;2*1-2/h10-17,20-21,23H,4-9,18-19H2,1-3H3;1-15H;5-8H,4H2,1-3H3,(H,25,26,27);8-10,12-13H,4-7H2,1-3H3;5-8H,4H2,1-3H3,(H,25,26,27);4-10,15H,3H2,1-2H3;2*4-8,11H,3H2,1-2H3;2*1H2/q;+1;;;;;;;;/p-2
• InChIKey: FRCCXAYVPNTXKP-UHFFFAOYSA-L
• XLogP: 28.12
• TPSA: 506.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 33
• Rotatable Bonds: 43
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2625.95
LogP ≤ 5	28.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;6-butan-2-ylnaphthalen-2-ol;bis(4-butan-2-ylphenol);3-[4-(2,2-dimethylbutanoyloxycarbonyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-[4-(2,2-dimethylbutanoyloxysulfonyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;formaldehyde;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;triphenylsulfanium?

The IUPAC name of 1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;6-butan-2-ylnaphthalen-2-ol;bis(4-butan-2-ylphenol);3-[4-(2,2-dimethylbutanoyloxycarbonyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-[4-(2,2-dimethylbutanoyloxysulfonyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;formaldehyde;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;triphenylsulfanium (CID 158116692) is 1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;6-butan-2-ylnaphthalen-2-ol;bis(4-butan-2-ylphenol);3-[4-(2,2-dimethylbutanoyloxycarbonyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-[4-(2,2-dimethylbutanoyloxysulfonyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;formaldehyde;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;triphenylsulfanium.

What is the SMILES notation for 1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;6-butan-2-ylnaphthalen-2-ol;bis(4-butan-2-ylphenol);3-[4-(2,2-dimethylbutanoyloxycarbonyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-[4-(2,2-dimethylbutanoyloxysulfonyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;formaldehyde;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;triphenylsulfanium?

The canonical SMILES for 1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;6-butan-2-ylnaphthalen-2-ol;bis(4-butan-2-ylphenol);3-[4-(2,2-dimethylbutanoyloxycarbonyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-[4-(2,2-dimethylbutanoyloxysulfonyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;formaldehyde;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;triphenylsulfanium is C=O.C=O.CCC(C)(C)C(=O)OC(=O)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.CCC(C)(C)C(=O)OCC(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OS(=O)(=O)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(C)OCCOc2ccc(C3CCCCC3)cc2)cc1.CCC(C)c1ccc2cc(O)ccc2c1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;6-butan-2-ylnaphthalen-2-ol;bis(4-butan-2-ylphenol);3-[4-(2,2-dimethylbutanoyloxycarbonyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-[4-(2,2-dimethylbutanoyloxysulfonyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;formaldehyde;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;triphenylsulfanium?

The InChIKey is FRCCXAYVPNTXKP-UHFFFAOYSA-L. The full InChI is InChI=1S/C26H36O3.C18H15S.C16H16F6O9S2.C16H22O6.C15H16F6O10S3.C14H16O.2C10H14O.2CH2O/c1-4-20(2)22-10-16-26(17-11-22)29-21(3)27-18-19-28-25-14-12-24(13-15-25)23-8-6-5-7-9-23;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(24)30-11(23)9-5-7-10(8-6-9)31-33(28,29)16(21,22)14(17,18)15(19,20)32(25,26)27;1-4-16(2,3)15(19)20-7-11(17)21-12-8-5-9-10(6-8)14(18)22-13(9)12;1-4-12(2,3)11(22)31-32(23,24)10-7-5-9(6-8-10)30-34(28,29)15(20,21)13(16,17)14(18,19)33(25,26)27;1-3-10(2)11-4-5-13-9-14(15)7-6-12(13)8-11;2*1-3-8(2)9-4-6-10(11)7-5-9;2*1-2/h10-17,20-21,23H,4-9,18-19H2,1-3H3;1-15H;5-8H,4H2,1-3H3,(H,25,26,27);8-10,12-13H,4-7H2,1-3H3;5-8H,4H2,1-3H3,(H,25,26,27);4-10,15H,3H2,1-2H3;2*4-8,11H,3H2,1-2H3;2*1H2/q;+1;;;;;;;;/p-2.

What are the key properties of 1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;6-butan-2-ylnaphthalen-2-ol;bis(4-butan-2-ylphenol);3-[4-(2,2-dimethylbutanoyloxycarbonyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-[4-(2,2-dimethylbutanoyloxysulfonyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;formaldehyde;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;triphenylsulfanium?

1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;6-butan-2-ylnaphthalen-2-ol;bis(4-butan-2-ylphenol);3-[4-(2,2-dimethylbutanoyloxycarbonyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-[4-(2,2-dimethylbutanoyloxysulfonyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;formaldehyde;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;triphenylsulfanium has a molecular weight of 2625.95 g/mol, XLogP of 28.12, 43 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;6-butan-2-ylnaphthalen-2-ol;bis(4-butan-2-ylphenol);3-[4-(2,2-dimethylbutanoyloxycarbonyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-[4-(2,2-dimethylbutanoyloxysulfonyl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;formaldehyde;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;triphenylsulfanium is sourced from PubChem (CID 158116692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).