1-butan-2-yl-4-[2-methyl-1-(2-phenoxyethoxy)propoxy]benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;3-[4-(3,3-dimethyl-2-oxopentyl)sulfonylphenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;1-(2-ethylhexoxy)-2,4,6-trimethylpyridin-1-ium;4-fluoro-1-phenylmethoxypyridin-1-ium;1,1,2,2,3,3-hexafluoro-3-[4-(4-methyl-3-oxohexanoyl)phenoxy]sulfonylpropane-1-sulfonate

C137H179F16N3O34S5 — CID 162265343

IUPAC1-butan-2-yl-4-[2-methyl-1-(2-phenoxyethoxy)propoxy]benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;3-[4-(3,3-dimethyl-2-oxopentyl)sulfonylphenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;1-(2-ethylhexoxy)-2,4,6-trimethylpyridin-1-ium;4-fluoro-1-phenylmethoxypyridin-1-ium;1,1,2,2,3,3-hexafluoro-3-[4-(4-methyl-3-oxohexanoyl)phenoxy]sulfonylpropane-1-sulfonate
SMILESCCC(C)(C)C(=O)CS(=O)(=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)OC1C2CC3C1OC(=O)C3(C#N)C2.CCC(C)C(=O)CC(=O)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.CCC(C)c1ccc(C(C)(O)C(F)(F)F)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(OCCOc2ccccc2)C(C)C)cc1.CCC1(OC(=O)COC(=O)C(C)(C)CC)CCCC1.CCCCC(CC)CO[n+]1c(C)cc(C)cc1C.Fc1cc[n+](OCc2ccccc2)cc1
InChIInChI=1S/C22H30O3.C17H21NO6.C16H18F6O9S3.C16H16F6O8S2.C16H28NO.C15H26O4.C13H17F3O.C12H11FNO.C10H14O/c1-5-18(4)19-11-13-21(14-12-19)25-22(17(2)3)24-16-15-23-20-9-7-6-8-10-20;1-4-16(2,3)14(20)22-7-11(19)23-12-9-5-10-13(12)24-15(21)17(10,6-9)8-18;1-4-13(2,3)12(23)9-32(24,25)11-7-5-10(6-8-11)31-34(29,30)16(21,22)14(17,18)15(19,20)33(26,27)28;1-3-9(2)12(23)8-13(24)10-4-6-11(7-5-10)30-32(28,29)16(21,22)14(17,18)15(19,20)31(25,26)27;1-6-8-9-16(7-2)12-18-17-14(4)10-13(3)11-15(17)5;1-5-14(3,4)13(17)18-11-12(16)19-15(6-2)9-7-8-10-15;1-4-9(2)10-5-7-11(8-6-10)12(3,17)13(14,15)16;13-12-6-8-14(9-7-12)15-10-11-4-2-1-3-5-11;1-3-8(2)9-4-6-10(11)7-5-9/h6-14,17-18,22H,5,15-16H2,1-4H3;9-10,12-13H,4-7H2,1-3H3;5-8H,4,9H2,1-3H3,(H,26,27,28);4-7,9H,3,8H2,1-2H3,(H,25,26,27);10-11,16H,6-9,12H2,1-5H3;5-11H2,1-4H3;5-9,17H,4H2,1-3H3;1-9H,10H2;4-8,11H,3H2,1-2H3/q;;;;+1;;;+1;/p-2
InChIKeyZZVGARYPRMLRDO-UHFFFAOYSA-L
MW2876.23 g/mol
LogP27.89
Rot. Bonds58

About 1-butan-2-yl-4-[2-methyl-1-(2-phenoxyethoxy)propoxy]benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;3-[4-(3,3-dimethyl-2-oxopentyl)sulfonylphenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;1-(2-ethylhexoxy)-2,4,6-trimethylpyridin-1-ium;4-fluoro-1-phenylmethoxypyridin-1-ium;1,1,2,2,3,3-hexafluoro-3-[4-(4-methyl-3-oxohexanoyl)phenoxy]sulfonylpropane-1-sulfonate

1-butan-2-yl-4-[2-methyl-1-(2-phenoxyethoxy)propoxy]benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;3-[4-(3,3-dimethyl-2-oxopentyl)sulfonylphenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;1-(2-ethylhexoxy)-2,4,6-trimethylpyridin-1-ium;4-fluoro-1-phenylmethoxypyridin-1-ium;1,1,2,2,3,3-hexafluoro-3-[4-(4-methyl-3-oxohexanoyl)phenoxy]sulfonylpropane-1-sulfonate (PubChem CID 162265343) has the molecular formula C137H179F16N3O34S5 and a molecular weight of 2876.23 g/mol. Its IUPAC name is 1-butan-2-yl-4-[2-methyl-1-(2-phenoxyethoxy)propoxy]benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;3-[4-(3,3-dimethyl-2-oxopentyl)sulfonylphenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;1-(2-ethylhexoxy)-2,4,6-trimethylpyridin-1-ium;4-fluoro-1-phenylmethoxypyridin-1-ium;1,1,2,2,3,3-hexafluoro-3-[4-(4-methyl-3-oxohexanoyl)phenoxy]sulfonylpropane-1-sulfonate.

Molecular Properties

Compound Name1-butan-2-yl-4-[2-methyl-1-(2-phenoxyethoxy)propoxy]benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;3-[4-(3,3-dimethyl-2-oxopentyl)sulfonylphenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;1-(2-ethylhexoxy)-2,4,6-trimethylpyridin-1-ium;4-fluoro-1-phenylmethoxypyridin-1-ium;1,1,2,2,3,3-hexafluoro-3-[4-(4-methyl-3-oxohexanoyl)phenoxy]sulfonylpropane-1-sulfonate
PubChem CID162265343
Molecular FormulaC137H179F16N3O34S5
Molecular Weight2876.23 g/mol
Exact Mass2874.07
IUPAC Name1-butan-2-yl-4-[2-methyl-1-(2-phenoxyethoxy)propoxy]benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;3-[4-(3,3-dimethyl-2-oxopentyl)sulfonylphenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;1-(2-ethylhexoxy)-2,4,6-trimethylpyridin-1-ium;4-fluoro-1-phenylmethoxypyridin-1-ium;1,1,2,2,3,3-hexafluoro-3-[4-(4-methyl-3-oxohexanoyl)phenoxy]sulfonylpropane-1-sulfonate
SMILESCCC(C)(C)C(=O)CS(=O)(=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)OC1C2CC3C1OC(=O)C3(C#N)C2.CCC(C)C(=O)CC(=O)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.CCC(C)c1ccc(C(C)(O)C(F)(F)F)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(OCCOc2ccccc2)C(C)C)cc1.CCC1(OC(=O)COC(=O)C(C)(C)CC)CCCC1.CCCCC(CC)CO[n+]1c(C)cc(C)cc1C.Fc1cc[n+](OCc2ccccc2)cc1
InChIInChI=1S/C22H30O3.C17H21NO6.C16H18F6O9S3.C16H16F6O8S2.C16H28NO.C15H26O4.C13H17F3O.C12H11FNO.C10H14O/c1-5-18(4)19-11-13-21(14-12-19)25-22(17(2)3)24-16-15-23-20-9-7-6-8-10-20;1-4-16(2,3)14(20)22-7-11(19)23-12-9-5-10-13(12)24-15(21)17(10,6-9)8-18;1-4-13(2,3)12(23)9-32(24,25)11-7-5-10(6-8-11)31-34(29,30)16(21,22)14(17,18)15(19,20)33(26,27)28;1-3-9(2)12(23)8-13(24)10-4-6-11(7-5-10)30-32(28,29)16(21,22)14(17,18)15(19,20)31(25,26)27;1-6-8-9-16(7-2)12-18-17-14(4)10-13(3)11-15(17)5;1-5-14(3,4)13(17)18-11-12(16)19-15(6-2)9-7-8-10-15;1-4-9(2)10-5-7-11(8-6-10)12(3,17)13(14,15)16;13-12-6-8-14(9-7-12)15-10-11-4-2-1-3-5-11;1-3-8(2)9-4-6-10(11)7-5-9/h6-14,17-18,22H,5,15-16H2,1-4H3;9-10,12-13H,4-7H2,1-3H3;5-8H,4,9H2,1-3H3,(H,26,27,28);4-7,9H,3,8H2,1-2H3,(H,25,26,27);10-11,16H,6-9,12H2,1-5H3;5-11H2,1-4H3;5-9,17H,4H2,1-3H3;1-9H,10H2;4-8,11H,3H2,1-2H3/q;;;;+1;;;+1;/p-2
InChIKeyZZVGARYPRMLRDO-UHFFFAOYSA-L
XLogP27.89
TPSA536.15 Ų
H-Bond Donors2
H-Bond Acceptors35
Rotatable Bonds58
Heavy Atoms195
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002876.23
LogP ≤ 527.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1035

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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1-butan-2-yl-4-[2-methyl-1-(2-phenoxyethoxy)propoxy]benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;3-[4-(3,3-dimethyl-2-oxopentyl)sulfonylphenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;1-(2-ethylhexoxy)-2,4,6-trimethylpyridin-1-ium;4-fluoro-1-phenylmethoxypyridin-1-ium;1,1,2,2,3,3-hexafluoro-3-[4-(4-methyl-3-oxohexanoyl)phenoxy]sulfonylpropane-1-sulfonate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-[2-methyl-1-(2-phenoxyethoxy)propoxy]benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;3-[4-(3,3-dimethyl-2-oxopentyl)sulfonylphenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;1-(2-ethylhexoxy)-2,4,6-trimethylpyridin-1-ium;4-fluoro-1-phenylmethoxypyridin-1-ium;1,1,2,2,3,3-hexafluoro-3-[4-(4-methyl-3-oxohexanoyl)phenoxy]sulfonylpropane-1-sulfonate?
The IUPAC name of 1-butan-2-yl-4-[2-methyl-1-(2-phenoxyethoxy)propoxy]benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;3-[4-(3,3-dimethyl-2-oxopentyl)sulfonylphenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;1-(2-ethylhexoxy)-2,4,6-trimethylpyridin-1-ium;4-fluoro-1-phenylmethoxypyridin-1-ium;1,1,2,2,3,3-hexafluoro-3-[4-(4-methyl-3-oxohexanoyl)phenoxy]sulfonylpropane-1-sulfonate (CID 162265343) is 1-butan-2-yl-4-[2-methyl-1-(2-phenoxyethoxy)propoxy]benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;3-[4-(3,3-dimethyl-2-oxopentyl)sulfonylphenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;1-(2-ethylhexoxy)-2,4,6-trimethylpyridin-1-ium;4-fluoro-1-phenylmethoxypyridin-1-ium;1,1,2,2,3,3-hexafluoro-3-[4-(4-methyl-3-oxohexanoyl)phenoxy]sulfonylpropane-1-sulfonate.
What is the SMILES notation for 1-butan-2-yl-4-[2-methyl-1-(2-phenoxyethoxy)propoxy]benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;3-[4-(3,3-dimethyl-2-oxopentyl)sulfonylphenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;1-(2-ethylhexoxy)-2,4,6-trimethylpyridin-1-ium;4-fluoro-1-phenylmethoxypyridin-1-ium;1,1,2,2,3,3-hexafluoro-3-[4-(4-methyl-3-oxohexanoyl)phenoxy]sulfonylpropane-1-sulfonate?
The canonical SMILES for 1-butan-2-yl-4-[2-methyl-1-(2-phenoxyethoxy)propoxy]benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;3-[4-(3,3-dimethyl-2-oxopentyl)sulfonylphenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;1-(2-ethylhexoxy)-2,4,6-trimethylpyridin-1-ium;4-fluoro-1-phenylmethoxypyridin-1-ium;1,1,2,2,3,3-hexafluoro-3-[4-(4-methyl-3-oxohexanoyl)phenoxy]sulfonylpropane-1-sulfonate is CCC(C)(C)C(=O)CS(=O)(=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)OC1C2CC3C1OC(=O)C3(C#N)C2.CCC(C)C(=O)CC(=O)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.CCC(C)c1ccc(C(C)(O)C(F)(F)F)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(OCCOc2ccccc2)C(C)C)cc1.CCC1(OC(=O)COC(=O)C(C)(C)CC)CCCC1.CCCCC(CC)CO[n+]1c(C)cc(C)cc1C.Fc1cc[n+](OCc2ccccc2)cc1.
What is the InChIKey of 1-butan-2-yl-4-[2-methyl-1-(2-phenoxyethoxy)propoxy]benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;3-[4-(3,3-dimethyl-2-oxopentyl)sulfonylphenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;1-(2-ethylhexoxy)-2,4,6-trimethylpyridin-1-ium;4-fluoro-1-phenylmethoxypyridin-1-ium;1,1,2,2,3,3-hexafluoro-3-[4-(4-methyl-3-oxohexanoyl)phenoxy]sulfonylpropane-1-sulfonate?
The InChIKey is ZZVGARYPRMLRDO-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H30O3.C17H21NO6.C16H18F6O9S3.C16H16F6O8S2.C16H28NO.C15H26O4.C13H17F3O.C12H11FNO.C10H14O/c1-5-18(4)19-11-13-21(14-12-19)25-22(17(2)3)24-16-15-23-20-9-7-6-8-10-20;1-4-16(2,3)14(20)22-7-11(19)23-12-9-5-10-13(12)24-15(21)17(10,6-9)8-18;1-4-13(2,3)12(23)9-32(24,25)11-7-5-10(6-8-11)31-34(29,30)16(21,22)14(17,18)15(19,20)33(26,27)28;1-3-9(2)12(23)8-13(24)10-4-6-11(7-5-10)30-32(28,29)16(21,22)14(17,18)15(19,20)31(25,26)27;1-6-8-9-16(7-2)12-18-17-14(4)10-13(3)11-15(17)5;1-5-14(3,4)13(17)18-11-12(16)19-15(6-2)9-7-8-10-15;1-4-9(2)10-5-7-11(8-6-10)12(3,17)13(14,15)16;13-12-6-8-14(9-7-12)15-10-11-4-2-1-3-5-11;1-3-8(2)9-4-6-10(11)7-5-9/h6-14,17-18,22H,5,15-16H2,1-4H3;9-10,12-13H,4-7H2,1-3H3;5-8H,4,9H2,1-3H3,(H,26,27,28);4-7,9H,3,8H2,1-2H3,(H,25,26,27);10-11,16H,6-9,12H2,1-5H3;5-11H2,1-4H3;5-9,17H,4H2,1-3H3;1-9H,10H2;4-8,11H,3H2,1-2H3/q;;;;+1;;;+1;/p-2.
What are the key properties of 1-butan-2-yl-4-[2-methyl-1-(2-phenoxyethoxy)propoxy]benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;3-[4-(3,3-dimethyl-2-oxopentyl)sulfonylphenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;1-(2-ethylhexoxy)-2,4,6-trimethylpyridin-1-ium;4-fluoro-1-phenylmethoxypyridin-1-ium;1,1,2,2,3,3-hexafluoro-3-[4-(4-methyl-3-oxohexanoyl)phenoxy]sulfonylpropane-1-sulfonate?
1-butan-2-yl-4-[2-methyl-1-(2-phenoxyethoxy)propoxy]benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;3-[4-(3,3-dimethyl-2-oxopentyl)sulfonylphenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;1-(2-ethylhexoxy)-2,4,6-trimethylpyridin-1-ium;4-fluoro-1-phenylmethoxypyridin-1-ium;1,1,2,2,3,3-hexafluoro-3-[4-(4-methyl-3-oxohexanoyl)phenoxy]sulfonylpropane-1-sulfonate has a molecular weight of 2876.23 g/mol, XLogP of 27.89, 58 rotatable bonds, 2 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-[2-methyl-1-(2-phenoxyethoxy)propoxy]benzene;4-butan-2-ylphenol;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;3-[4-(3,3-dimethyl-2-oxopentyl)sulfonylphenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;[2-(1-ethylcyclopentyl)oxy-2-oxoethyl] 2,2-dimethylbutanoate;1-(2-ethylhexoxy)-2,4,6-trimethylpyridin-1-ium;4-fluoro-1-phenylmethoxypyridin-1-ium;1,1,2,2,3,3-hexafluoro-3-[4-(4-methyl-3-oxohexanoyl)phenoxy]sulfonylpropane-1-sulfonate is sourced from PubChem (CID 162265343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).