1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(2-cyclohexylpropan-2-yloxy)benzene;bis(4-butan-2-ylphenol);4-[2-(4-butan-2-ylphenoxy)ethoxy]-2,3,5,6-tetrafluorobenzenesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;carbanide;bis(triphenylsulfanium)

C135H159F14O12S3- — CID 158025625

About 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(2-cyclohexylpropan-2-yloxy)benzene;bis(4-butan-2-ylphenol);4-[2-(4-butan-2-ylphenoxy)ethoxy]-2,3,5,6-tetrafluorobenzenesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;carbanide;bis(triphenylsulfanium)

1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(2-cyclohexylpropan-2-yloxy)benzene;bis(4-butan-2-ylphenol);4-[2-(4-butan-2-ylphenoxy)ethoxy]-2,3,5,6-tetrafluorobenzenesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;carbanide;bis(triphenylsulfanium) (PubChem CID 158025625) has the molecular formula C135H159F14O12S3- and a molecular weight of 2335.92 g/mol. Its IUPAC name is 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(2-cyclohexylpropan-2-yloxy)benzene;bis(4-butan-2-ylphenol);4-[2-(4-butan-2-ylphenoxy)ethoxy]-2,3,5,6-tetrafluorobenzenesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;carbanide;bis(triphenylsulfanium).

Molecular Properties

• Compound Name: 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(2-cyclohexylpropan-2-yloxy)benzene;bis(4-butan-2-ylphenol);4-[2-(4-butan-2-ylphenoxy)ethoxy]-2,3,5,6-tetrafluorobenzenesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;carbanide;bis(triphenylsulfanium)
• PubChem CID: 158025625
• Molecular Formula: C135H159F14O12S3-
• Molecular Weight: 2335.92 g/mol
• Exact Mass: 2334.08
• IUPAC Name: 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(2-cyclohexylpropan-2-yloxy)benzene;bis(4-butan-2-ylphenol);4-[2-(4-butan-2-ylphenoxy)ethoxy]-2,3,5,6-tetrafluorobenzenesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;carbanide;bis(triphenylsulfanium)
• SMILES: CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(C)(C)C2CCCCC2)cc1.CCC(C)c1ccc(OC(C)OC2CCCCC2)cc1.CCC(C)c1ccc(OCC(F)(F)C(F)(F)C(F)(F)COc2c(F)c(F)c(C)c(F)c2F)cc1.CCC(C)c1ccc(OCCOc2c(F)c(F)c(S(=O)(=O)[O-])c(F)c2F)cc1.[CH3-].[CH3-].c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C22H20F10O2.C19H30O.C18H18F4O5S.C18H28O2.2C18H15S.2C10H14O.2CH3/c1-4-11(2)13-5-7-14(8-6-13)33-9-20(27,28)22(31,32)21(29,30)10-34-19-17(25)15(23)12(3)16(24)18(19)26;1-5-15(2)16-11-13-18(14-12-16)20-19(3,4)17-9-7-6-8-10-17;1-3-10(2)11-4-6-12(7-5-11)26-8-9-27-17-13(19)15(21)18(28(23,24)25)16(22)14(17)20;1-4-14(2)16-10-12-18(13-11-16)20-15(3)19-17-8-6-5-7-9-17;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-3-8(2)9-4-6-10(11)7-5-9;;/h5-8,11H,4,9-10H2,1-3H3;11-15,17H,5-10H2,1-4H3;4-7,10H,3,8-9H2,1-2H3,(H,23,24,25);10-15,17H,4-9H2,1-3H3;2*1-15H;2*4-8,11H,3H2,1-2H3;2*1H3/q;;;;2*+1;;;2*-1/p-1
• InChIKey: FGOOBTWXGNMXKF-UHFFFAOYSA-M
• XLogP: 39.03
• TPSA: 162.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 39
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2335.92
LogP ≤ 5	39.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', '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-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(2-cyclohexylpropan-2-yloxy)benzene;bis(4-butan-2-ylphenol);4-[2-(4-butan-2-ylphenoxy)ethoxy]-2,3,5,6-tetrafluorobenzenesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;carbanide;bis(triphenylsulfanium)?

The IUPAC name of 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(2-cyclohexylpropan-2-yloxy)benzene;bis(4-butan-2-ylphenol);4-[2-(4-butan-2-ylphenoxy)ethoxy]-2,3,5,6-tetrafluorobenzenesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;carbanide;bis(triphenylsulfanium) (CID 158025625) is 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(2-cyclohexylpropan-2-yloxy)benzene;bis(4-butan-2-ylphenol);4-[2-(4-butan-2-ylphenoxy)ethoxy]-2,3,5,6-tetrafluorobenzenesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;carbanide;bis(triphenylsulfanium).

What is the SMILES notation for 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(2-cyclohexylpropan-2-yloxy)benzene;bis(4-butan-2-ylphenol);4-[2-(4-butan-2-ylphenoxy)ethoxy]-2,3,5,6-tetrafluorobenzenesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;carbanide;bis(triphenylsulfanium)?

The canonical SMILES for 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(2-cyclohexylpropan-2-yloxy)benzene;bis(4-butan-2-ylphenol);4-[2-(4-butan-2-ylphenoxy)ethoxy]-2,3,5,6-tetrafluorobenzenesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;carbanide;bis(triphenylsulfanium) is CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(C)(C)C2CCCCC2)cc1.CCC(C)c1ccc(OC(C)OC2CCCCC2)cc1.CCC(C)c1ccc(OCC(F)(F)C(F)(F)C(F)(F)COc2c(F)c(F)c(C)c(F)c2F)cc1.CCC(C)c1ccc(OCCOc2c(F)c(F)c(S(=O)(=O)[O-])c(F)c2F)cc1.[CH3-].[CH3-].c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(2-cyclohexylpropan-2-yloxy)benzene;bis(4-butan-2-ylphenol);4-[2-(4-butan-2-ylphenoxy)ethoxy]-2,3,5,6-tetrafluorobenzenesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;carbanide;bis(triphenylsulfanium)?

The InChIKey is FGOOBTWXGNMXKF-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H20F10O2.C19H30O.C18H18F4O5S.C18H28O2.2C18H15S.2C10H14O.2CH3/c1-4-11(2)13-5-7-14(8-6-13)33-9-20(27,28)22(31,32)21(29,30)10-34-19-17(25)15(23)12(3)16(24)18(19)26;1-5-15(2)16-11-13-18(14-12-16)20-19(3,4)17-9-7-6-8-10-17;1-3-10(2)11-4-6-12(7-5-11)26-8-9-27-17-13(19)15(21)18(28(23,24)25)16(22)14(17)20;1-4-14(2)16-10-12-18(13-11-16)20-15(3)19-17-8-6-5-7-9-17;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-3-8(2)9-4-6-10(11)7-5-9;;/h5-8,11H,4,9-10H2,1-3H3;11-15,17H,5-10H2,1-4H3;4-7,10H,3,8-9H2,1-2H3,(H,23,24,25);10-15,17H,4-9H2,1-3H3;2*1-15H;2*4-8,11H,3H2,1-2H3;2*1H3/q;;;;2*+1;;;2*-1/p-1.

What are the key properties of 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(2-cyclohexylpropan-2-yloxy)benzene;bis(4-butan-2-ylphenol);4-[2-(4-butan-2-ylphenoxy)ethoxy]-2,3,5,6-tetrafluorobenzenesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;carbanide;bis(triphenylsulfanium)?

1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(2-cyclohexylpropan-2-yloxy)benzene;bis(4-butan-2-ylphenol);4-[2-(4-butan-2-ylphenoxy)ethoxy]-2,3,5,6-tetrafluorobenzenesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;carbanide;bis(triphenylsulfanium) has a molecular weight of 2335.92 g/mol, XLogP of 39.03, 39 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butan-2-yl-4-(1-cyclohexyloxyethoxy)benzene;1-butan-2-yl-4-(2-cyclohexylpropan-2-yloxy)benzene;bis(4-butan-2-ylphenol);4-[2-(4-butan-2-ylphenoxy)ethoxy]-2,3,5,6-tetrafluorobenzenesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;carbanide;bis(triphenylsulfanium) is sourced from PubChem (CID 158025625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).