1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;bis(4-butan-2-ylphenol);1-(4-butan-2-ylphenoxy)sulfonyl-2,2,3,3-tetrafluoropropane-1-sulfonate;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;molecular fluorine;bis(triphenylsulfanium)

C122H150F10O16S5 — CID 158232086

IUPAC1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;bis(4-butan-2-ylphenol);1-(4-butan-2-ylphenoxy)sulfonyl-2,2,3,3-tetrafluoropropane-1-sulfonate;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;molecular fluorine;bis(triphenylsulfanium)
SMILESCCC(C)(C)C(=O)OC(CC)(CC)C1CCCCC1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(C)OCCC2CCCCC2)cc1.CCC(C)c1ccc(OS(=O)(=O)C(C(F)(F)C(F)F)S(=O)(=O)[O-])cc1.CCC(C)c1ccc(Oc2c(F)c(F)c(S(=O)(=O)[O-])c(F)c2F)cc1.FF.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H32O2.2C18H15S.C17H32O2.C16H14F4O4S.C13H16F4O6S2.2C10H14O.F2/c1-4-16(2)19-10-12-20(13-11-19)22-17(3)21-15-14-18-8-6-5-7-9-18;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-16(4,5)15(18)19-17(7-2,8-3)14-12-10-9-11-13-14;1-3-8(2)9-4-6-10(7-5-9)24-15-11(17)13(19)16(25(21,22)23)14(20)12(15)18;1-3-8(2)9-4-6-10(7-5-9)23-25(21,22)12(24(18,19)20)13(16,17)11(14)15;2*1-3-8(2)9-4-6-10(11)7-5-9;1-2/h10-13,16-18H,4-9,14-15H2,1-3H3;2*1-15H;14H,6-13H2,1-5H3;4-8H,3H2,1-2H3,(H,21,22,23);4-8,11-12H,3H2,1-2H3,(H,18,19,20);2*4-8,11H,3H2,1-2H3;/q;2*+1;;;;;;/p-2
InChIKeyGEMPLWPBOKGMCT-UHFFFAOYSA-L
MW2222.84 g/mol
LogP34.37
Rot. Bonds37

About 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;bis(4-butan-2-ylphenol);1-(4-butan-2-ylphenoxy)sulfonyl-2,2,3,3-tetrafluoropropane-1-sulfonate;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;molecular fluorine;bis(triphenylsulfanium)

1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;bis(4-butan-2-ylphenol);1-(4-butan-2-ylphenoxy)sulfonyl-2,2,3,3-tetrafluoropropane-1-sulfonate;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;molecular fluorine;bis(triphenylsulfanium) (PubChem CID 158232086) has the molecular formula C122H150F10O16S5 and a molecular weight of 2222.84 g/mol. Its IUPAC name is 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;bis(4-butan-2-ylphenol);1-(4-butan-2-ylphenoxy)sulfonyl-2,2,3,3-tetrafluoropropane-1-sulfonate;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;molecular fluorine;bis(triphenylsulfanium).

Molecular Properties

Compound Name1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;bis(4-butan-2-ylphenol);1-(4-butan-2-ylphenoxy)sulfonyl-2,2,3,3-tetrafluoropropane-1-sulfonate;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;molecular fluorine;bis(triphenylsulfanium)
PubChem CID158232086
Molecular FormulaC122H150F10O16S5
Molecular Weight2222.84 g/mol
Exact Mass2220.94
IUPAC Name1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;bis(4-butan-2-ylphenol);1-(4-butan-2-ylphenoxy)sulfonyl-2,2,3,3-tetrafluoropropane-1-sulfonate;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;molecular fluorine;bis(triphenylsulfanium)
SMILESCCC(C)(C)C(=O)OC(CC)(CC)C1CCCCC1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(C)OCCC2CCCCC2)cc1.CCC(C)c1ccc(OS(=O)(=O)C(C(F)(F)C(F)F)S(=O)(=O)[O-])cc1.CCC(C)c1ccc(Oc2c(F)c(F)c(S(=O)(=O)[O-])c(F)c2F)cc1.FF.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H32O2.2C18H15S.C17H32O2.C16H14F4O4S.C13H16F4O6S2.2C10H14O.F2/c1-4-16(2)19-10-12-20(13-11-19)22-17(3)21-15-14-18-8-6-5-7-9-18;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-16(4,5)15(18)19-17(7-2,8-3)14-12-10-9-11-13-14;1-3-8(2)9-4-6-10(7-5-9)24-15-11(17)13(19)16(25(21,22)23)14(20)12(15)18;1-3-8(2)9-4-6-10(7-5-9)23-25(21,22)12(24(18,19)20)13(16,17)11(14)15;2*1-3-8(2)9-4-6-10(11)7-5-9;1-2/h10-13,16-18H,4-9,14-15H2,1-3H3;2*1-15H;14H,6-13H2,1-5H3;4-8H,3H2,1-2H3,(H,21,22,23);4-8,11-12H,3H2,1-2H3,(H,18,19,20);2*4-8,11H,3H2,1-2H3;/q;2*+1;;;;;;/p-2
InChIKeyGEMPLWPBOKGMCT-UHFFFAOYSA-L
XLogP34.37
TPSA252.22 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds37
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002222.84
LogP ≤ 534.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;bis(4-butan-2-ylphenol);1-(4-butan-2-ylphenoxy)sulfonyl-2,2,3,3-tetrafluoropropane-1-sulfonate;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;molecular fluorine;bis(triphenylsulfanium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;bis(4-butan-2-ylphenol);1-(4-butan-2-ylphenoxy)sulfonyl-2,2,3,3-tetrafluoropropane-1-sulfonate;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;molecular fluorine;bis(triphenylsulfanium)?
The IUPAC name of 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;bis(4-butan-2-ylphenol);1-(4-butan-2-ylphenoxy)sulfonyl-2,2,3,3-tetrafluoropropane-1-sulfonate;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;molecular fluorine;bis(triphenylsulfanium) (CID 158232086) is 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;bis(4-butan-2-ylphenol);1-(4-butan-2-ylphenoxy)sulfonyl-2,2,3,3-tetrafluoropropane-1-sulfonate;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;molecular fluorine;bis(triphenylsulfanium).
What is the SMILES notation for 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;bis(4-butan-2-ylphenol);1-(4-butan-2-ylphenoxy)sulfonyl-2,2,3,3-tetrafluoropropane-1-sulfonate;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;molecular fluorine;bis(triphenylsulfanium)?
The canonical SMILES for 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;bis(4-butan-2-ylphenol);1-(4-butan-2-ylphenoxy)sulfonyl-2,2,3,3-tetrafluoropropane-1-sulfonate;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;molecular fluorine;bis(triphenylsulfanium) is CCC(C)(C)C(=O)OC(CC)(CC)C1CCCCC1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(C)OCCC2CCCCC2)cc1.CCC(C)c1ccc(OS(=O)(=O)C(C(F)(F)C(F)F)S(=O)(=O)[O-])cc1.CCC(C)c1ccc(Oc2c(F)c(F)c(S(=O)(=O)[O-])c(F)c2F)cc1.FF.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;bis(4-butan-2-ylphenol);1-(4-butan-2-ylphenoxy)sulfonyl-2,2,3,3-tetrafluoropropane-1-sulfonate;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;molecular fluorine;bis(triphenylsulfanium)?
The InChIKey is GEMPLWPBOKGMCT-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H32O2.2C18H15S.C17H32O2.C16H14F4O4S.C13H16F4O6S2.2C10H14O.F2/c1-4-16(2)19-10-12-20(13-11-19)22-17(3)21-15-14-18-8-6-5-7-9-18;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-16(4,5)15(18)19-17(7-2,8-3)14-12-10-9-11-13-14;1-3-8(2)9-4-6-10(7-5-9)24-15-11(17)13(19)16(25(21,22)23)14(20)12(15)18;1-3-8(2)9-4-6-10(7-5-9)23-25(21,22)12(24(18,19)20)13(16,17)11(14)15;2*1-3-8(2)9-4-6-10(11)7-5-9;1-2/h10-13,16-18H,4-9,14-15H2,1-3H3;2*1-15H;14H,6-13H2,1-5H3;4-8H,3H2,1-2H3,(H,21,22,23);4-8,11-12H,3H2,1-2H3,(H,18,19,20);2*4-8,11H,3H2,1-2H3;/q;2*+1;;;;;;/p-2.
What are the key properties of 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;bis(4-butan-2-ylphenol);1-(4-butan-2-ylphenoxy)sulfonyl-2,2,3,3-tetrafluoropropane-1-sulfonate;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;molecular fluorine;bis(triphenylsulfanium)?
1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;bis(4-butan-2-ylphenol);1-(4-butan-2-ylphenoxy)sulfonyl-2,2,3,3-tetrafluoropropane-1-sulfonate;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;molecular fluorine;bis(triphenylsulfanium) has a molecular weight of 2222.84 g/mol, XLogP of 34.37, 37 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;bis(4-butan-2-ylphenol);1-(4-butan-2-ylphenoxy)sulfonyl-2,2,3,3-tetrafluoropropane-1-sulfonate;4-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;molecular fluorine;bis(triphenylsulfanium) is sourced from PubChem (CID 158232086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).