tris(4-butan-2-ylphenol);bis(3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);bis([3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylbutanoate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 4-butan-2-ylbenzoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;bis(1-(2-ethylhexoxy)-4-phenylpyridin-1-ium);(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;methane;bis(1-methoxy-4-phenylpyridin-1-ium);4-(2-methylbutan-2-yl)phenol;(4-phenylphenyl) 2,2-dimethylbutanoate

C262H353F30N7O50S10 — CID 160766157

IUPACtris(4-butan-2-ylphenol);bis(3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);bis([3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylbutanoate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 4-butan-2-ylbenzoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;bis(1-(2-ethylhexoxy)-4-phenylpyridin-1-ium);(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;methane;bis(1-methoxy-4-phenylpyridin-1-ium);4-(2-methylbutan-2-yl)phenol;(4-phenylphenyl) 2,2-dimethylbutanoate
SMILESC.C.C.C.CCC(C)(C)C(=O)OC(CC)(CC)C1CCCCC1.CCC(C)(C)C(=O)Oc1ccc(-c2ccccc2)cc1.CCC(C)(C)c1ccc(O)cc1.CCC(C)C(=O)OC1(CC)CC2CC1C1C3CCC(C3)C21.CCC(C)C(=O)OCC(=O)OC1C2CC3C1OC(=O)C3(C#N)C2.CCC(C)c1ccc(C(=O)OC2(CC)CCCC2)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1.CCC(C)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1.CCC(C)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.CCC(C)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.CCC1(OC(=O)C(C)(C)CC)CCCC1.CCCCC(CC)CO[n+]1ccc(-c2ccccc2)cc1.CCCCC(CC)CO[n+]1ccc(-c2ccccc2)cc1.CO[n+]1ccc(-c2ccccc2)cc1.CO[n+]1ccc(-c2ccccc2)cc1
InChIInChI=1S/2C19H26NO.C19H30O2.C18H20O2.C18H26O2.C17H32O2.C16H19NO6.2C14H13F9NO7S3.2C13H14F6O6S2.C13H24O2.2C12H12NO.C11H16O.3C10H14O.4CH4/c2*1-3-5-9-17(4-2)16-21-20-14-12-19(13-15-20)18-10-7-6-8-11-18;1-4-11(3)18(20)21-19(5-2)10-14-9-15(19)17-13-7-6-12(8-13)16(14)17;1-4-18(2,3)17(19)20-16-12-10-15(11-13-16)14-8-6-5-7-9-14;1-4-14(3)15-8-10-16(11-9-15)17(19)20-18(5-2)12-6-7-13-18;1-6-16(4,5)15(18)19-17(7-2,8-3)14-12-10-9-11-13-14;1-3-8(2)14(19)21-6-11(18)22-12-9-4-10-13(12)23-15(20)16(10,5-9)7-17;2*1-3-8(2)9-4-6-10(7-5-9)31-34(29,30)13(19,20)11(15,16)12(17,18)32(25,26)24-33(27,28)14(21,22)23;2*1-3-8(2)9-4-6-10(7-5-9)25-27(23,24)13(18,19)11(14,15)12(16,17)26(20,21)22;1-5-12(3,4)11(14)15-13(6-2)9-7-8-10-13;2*1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11;1-4-11(2,3)9-5-7-10(12)8-6-9;3*1-3-8(2)9-4-6-10(11)7-5-9;;;;/h2*6-8,10-15,17H,3-5,9,16H2,1-2H3;11-17H,4-10H2,1-3H3;5-13H,4H2,1-3H3;8-11,14H,4-7,12-13H2,1-3H3;14H,6-13H2,1-5H3;8-10,12-13H,3-6H2,1-2H3;2*4-8H,3H2,1-2H3;2*4-8H,3H2,1-2H3,(H,20,21,22);5-10H2,1-4H3;2*2-10H,1H3;5-8,12H,4H2,1-3H3;3*4-8,11H,3H2,1-2H3;4*1H4/q2*+1;;;;;;2*-1;;;;2*+1;;;;;;;;/p-2
InChIKeyRYSCQDBIYXHJLX-UHFFFAOYSA-L
MW5291.32 g/mol
LogP65.39
Rot. Bonds92

About tris(4-butan-2-ylphenol);bis(3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);bis([3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylbutanoate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 4-butan-2-ylbenzoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;bis(1-(2-ethylhexoxy)-4-phenylpyridin-1-ium);(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;methane;bis(1-methoxy-4-phenylpyridin-1-ium);4-(2-methylbutan-2-yl)phenol;(4-phenylphenyl) 2,2-dimethylbutanoate

tris(4-butan-2-ylphenol);bis(3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);bis([3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylbutanoate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 4-butan-2-ylbenzoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;bis(1-(2-ethylhexoxy)-4-phenylpyridin-1-ium);(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;methane;bis(1-methoxy-4-phenylpyridin-1-ium);4-(2-methylbutan-2-yl)phenol;(4-phenylphenyl) 2,2-dimethylbutanoate (PubChem CID 160766157) has the molecular formula C262H353F30N7O50S10 and a molecular weight of 5291.32 g/mol. Its IUPAC name is tris(4-butan-2-ylphenol);bis(3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);bis([3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylbutanoate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 4-butan-2-ylbenzoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;bis(1-(2-ethylhexoxy)-4-phenylpyridin-1-ium);(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;methane;bis(1-methoxy-4-phenylpyridin-1-ium);4-(2-methylbutan-2-yl)phenol;(4-phenylphenyl) 2,2-dimethylbutanoate.

Molecular Properties

Compound Nametris(4-butan-2-ylphenol);bis(3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);bis([3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylbutanoate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 4-butan-2-ylbenzoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;bis(1-(2-ethylhexoxy)-4-phenylpyridin-1-ium);(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;methane;bis(1-methoxy-4-phenylpyridin-1-ium);4-(2-methylbutan-2-yl)phenol;(4-phenylphenyl) 2,2-dimethylbutanoate
PubChem CID160766157
Molecular FormulaC262H353F30N7O50S10
Molecular Weight5291.32 g/mol
Exact Mass5287.20
IUPAC Nametris(4-butan-2-ylphenol);bis(3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);bis([3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylbutanoate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 4-butan-2-ylbenzoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;bis(1-(2-ethylhexoxy)-4-phenylpyridin-1-ium);(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;methane;bis(1-methoxy-4-phenylpyridin-1-ium);4-(2-methylbutan-2-yl)phenol;(4-phenylphenyl) 2,2-dimethylbutanoate
SMILESC.C.C.C.CCC(C)(C)C(=O)OC(CC)(CC)C1CCCCC1.CCC(C)(C)C(=O)Oc1ccc(-c2ccccc2)cc1.CCC(C)(C)c1ccc(O)cc1.CCC(C)C(=O)OC1(CC)CC2CC1C1C3CCC(C3)C21.CCC(C)C(=O)OCC(=O)OC1C2CC3C1OC(=O)C3(C#N)C2.CCC(C)c1ccc(C(=O)OC2(CC)CCCC2)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1.CCC(C)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1.CCC(C)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.CCC(C)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.CCC1(OC(=O)C(C)(C)CC)CCCC1.CCCCC(CC)CO[n+]1ccc(-c2ccccc2)cc1.CCCCC(CC)CO[n+]1ccc(-c2ccccc2)cc1.CO[n+]1ccc(-c2ccccc2)cc1.CO[n+]1ccc(-c2ccccc2)cc1
InChIInChI=1S/2C19H26NO.C19H30O2.C18H20O2.C18H26O2.C17H32O2.C16H19NO6.2C14H13F9NO7S3.2C13H14F6O6S2.C13H24O2.2C12H12NO.C11H16O.3C10H14O.4CH4/c2*1-3-5-9-17(4-2)16-21-20-14-12-19(13-15-20)18-10-7-6-8-11-18;1-4-11(3)18(20)21-19(5-2)10-14-9-15(19)17-13-7-6-12(8-13)16(14)17;1-4-18(2,3)17(19)20-16-12-10-15(11-13-16)14-8-6-5-7-9-14;1-4-14(3)15-8-10-16(11-9-15)17(19)20-18(5-2)12-6-7-13-18;1-6-16(4,5)15(18)19-17(7-2,8-3)14-12-10-9-11-13-14;1-3-8(2)14(19)21-6-11(18)22-12-9-4-10-13(12)23-15(20)16(10,5-9)7-17;2*1-3-8(2)9-4-6-10(7-5-9)31-34(29,30)13(19,20)11(15,16)12(17,18)32(25,26)24-33(27,28)14(21,22)23;2*1-3-8(2)9-4-6-10(7-5-9)25-27(23,24)13(18,19)11(14,15)12(16,17)26(20,21)22;1-5-12(3,4)11(14)15-13(6-2)9-7-8-10-13;2*1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11;1-4-11(2,3)9-5-7-10(12)8-6-9;3*1-3-8(2)9-4-6-10(11)7-5-9;;;;/h2*6-8,10-15,17H,3-5,9,16H2,1-2H3;11-17H,4-10H2,1-3H3;5-13H,4H2,1-3H3;8-11,14H,4-7,12-13H2,1-3H3;14H,6-13H2,1-5H3;8-10,12-13H,3-6H2,1-2H3;2*4-8H,3H2,1-2H3;2*4-8H,3H2,1-2H3,(H,20,21,22);5-10H2,1-4H3;2*2-10H,1H3;5-8,12H,4H2,1-3H3;3*4-8,11H,3H2,1-2H3;4*1H4/q2*+1;;;;;;2*-1;;;;2*+1;;;;;;;;/p-2
InChIKeyRYSCQDBIYXHJLX-UHFFFAOYSA-L
XLogP65.39
TPSA820.19 Ų
H-Bond Donors4
H-Bond Acceptors51
Rotatable Bonds92
Heavy Atoms359
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005291.32
LogP ≤ 565.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1051

Analyze tris(4-butan-2-ylphenol);bis(3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);bis([3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylbutanoate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 4-butan-2-ylbenzoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;bis(1-(2-ethylhexoxy)-4-phenylpyridin-1-ium);(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;methane;bis(1-methoxy-4-phenylpyridin-1-ium);4-(2-methylbutan-2-yl)phenol;(4-phenylphenyl) 2,2-dimethylbutanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tris(4-butan-2-ylphenol);bis(3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);bis([3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylbutanoate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 4-butan-2-ylbenzoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;bis(1-(2-ethylhexoxy)-4-phenylpyridin-1-ium);(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;methane;bis(1-methoxy-4-phenylpyridin-1-ium);4-(2-methylbutan-2-yl)phenol;(4-phenylphenyl) 2,2-dimethylbutanoate?
The IUPAC name of tris(4-butan-2-ylphenol);bis(3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);bis([3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylbutanoate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 4-butan-2-ylbenzoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;bis(1-(2-ethylhexoxy)-4-phenylpyridin-1-ium);(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;methane;bis(1-methoxy-4-phenylpyridin-1-ium);4-(2-methylbutan-2-yl)phenol;(4-phenylphenyl) 2,2-dimethylbutanoate (CID 160766157) is tris(4-butan-2-ylphenol);bis(3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);bis([3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylbutanoate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 4-butan-2-ylbenzoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;bis(1-(2-ethylhexoxy)-4-phenylpyridin-1-ium);(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;methane;bis(1-methoxy-4-phenylpyridin-1-ium);4-(2-methylbutan-2-yl)phenol;(4-phenylphenyl) 2,2-dimethylbutanoate.
What is the SMILES notation for tris(4-butan-2-ylphenol);bis(3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);bis([3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylbutanoate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 4-butan-2-ylbenzoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;bis(1-(2-ethylhexoxy)-4-phenylpyridin-1-ium);(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;methane;bis(1-methoxy-4-phenylpyridin-1-ium);4-(2-methylbutan-2-yl)phenol;(4-phenylphenyl) 2,2-dimethylbutanoate?
The canonical SMILES for tris(4-butan-2-ylphenol);bis(3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);bis([3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylbutanoate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 4-butan-2-ylbenzoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;bis(1-(2-ethylhexoxy)-4-phenylpyridin-1-ium);(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;methane;bis(1-methoxy-4-phenylpyridin-1-ium);4-(2-methylbutan-2-yl)phenol;(4-phenylphenyl) 2,2-dimethylbutanoate is C.C.C.C.CCC(C)(C)C(=O)OC(CC)(CC)C1CCCCC1.CCC(C)(C)C(=O)Oc1ccc(-c2ccccc2)cc1.CCC(C)(C)c1ccc(O)cc1.CCC(C)C(=O)OC1(CC)CC2CC1C1C3CCC(C3)C21.CCC(C)C(=O)OCC(=O)OC1C2CC3C1OC(=O)C3(C#N)C2.CCC(C)c1ccc(C(=O)OC2(CC)CCCC2)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1.CCC(C)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1.CCC(C)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.CCC(C)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.CCC1(OC(=O)C(C)(C)CC)CCCC1.CCCCC(CC)CO[n+]1ccc(-c2ccccc2)cc1.CCCCC(CC)CO[n+]1ccc(-c2ccccc2)cc1.CO[n+]1ccc(-c2ccccc2)cc1.CO[n+]1ccc(-c2ccccc2)cc1.
What is the InChIKey of tris(4-butan-2-ylphenol);bis(3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);bis([3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylbutanoate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 4-butan-2-ylbenzoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;bis(1-(2-ethylhexoxy)-4-phenylpyridin-1-ium);(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;methane;bis(1-methoxy-4-phenylpyridin-1-ium);4-(2-methylbutan-2-yl)phenol;(4-phenylphenyl) 2,2-dimethylbutanoate?
The InChIKey is RYSCQDBIYXHJLX-UHFFFAOYSA-L. The full InChI is InChI=1S/2C19H26NO.C19H30O2.C18H20O2.C18H26O2.C17H32O2.C16H19NO6.2C14H13F9NO7S3.2C13H14F6O6S2.C13H24O2.2C12H12NO.C11H16O.3C10H14O.4CH4/c2*1-3-5-9-17(4-2)16-21-20-14-12-19(13-15-20)18-10-7-6-8-11-18;1-4-11(3)18(20)21-19(5-2)10-14-9-15(19)17-13-7-6-12(8-13)16(14)17;1-4-18(2,3)17(19)20-16-12-10-15(11-13-16)14-8-6-5-7-9-14;1-4-14(3)15-8-10-16(11-9-15)17(19)20-18(5-2)12-6-7-13-18;1-6-16(4,5)15(18)19-17(7-2,8-3)14-12-10-9-11-13-14;1-3-8(2)14(19)21-6-11(18)22-12-9-4-10-13(12)23-15(20)16(10,5-9)7-17;2*1-3-8(2)9-4-6-10(7-5-9)31-34(29,30)13(19,20)11(15,16)12(17,18)32(25,26)24-33(27,28)14(21,22)23;2*1-3-8(2)9-4-6-10(7-5-9)25-27(23,24)13(18,19)11(14,15)12(16,17)26(20,21)22;1-5-12(3,4)11(14)15-13(6-2)9-7-8-10-13;2*1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11;1-4-11(2,3)9-5-7-10(12)8-6-9;3*1-3-8(2)9-4-6-10(11)7-5-9;;;;/h2*6-8,10-15,17H,3-5,9,16H2,1-2H3;11-17H,4-10H2,1-3H3;5-13H,4H2,1-3H3;8-11,14H,4-7,12-13H2,1-3H3;14H,6-13H2,1-5H3;8-10,12-13H,3-6H2,1-2H3;2*4-8H,3H2,1-2H3;2*4-8H,3H2,1-2H3,(H,20,21,22);5-10H2,1-4H3;2*2-10H,1H3;5-8,12H,4H2,1-3H3;3*4-8,11H,3H2,1-2H3;4*1H4/q2*+1;;;;;;2*-1;;;;2*+1;;;;;;;;/p-2.
What are the key properties of tris(4-butan-2-ylphenol);bis(3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);bis([3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylbutanoate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 4-butan-2-ylbenzoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;bis(1-(2-ethylhexoxy)-4-phenylpyridin-1-ium);(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;methane;bis(1-methoxy-4-phenylpyridin-1-ium);4-(2-methylbutan-2-yl)phenol;(4-phenylphenyl) 2,2-dimethylbutanoate?
tris(4-butan-2-ylphenol);bis(3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);bis([3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylbutanoate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 4-butan-2-ylbenzoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;bis(1-(2-ethylhexoxy)-4-phenylpyridin-1-ium);(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;methane;bis(1-methoxy-4-phenylpyridin-1-ium);4-(2-methylbutan-2-yl)phenol;(4-phenylphenyl) 2,2-dimethylbutanoate has a molecular weight of 5291.32 g/mol, XLogP of 65.39, 92 rotatable bonds, 4 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-butan-2-ylphenol);bis(3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);bis([3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);[2-[(6-cyano-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylbutanoate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 4-butan-2-ylbenzoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;bis(1-(2-ethylhexoxy)-4-phenylpyridin-1-ium);(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;methane;bis(1-methoxy-4-phenylpyridin-1-ium);4-(2-methylbutan-2-yl)phenol;(4-phenylphenyl) 2,2-dimethylbutanoate is sourced from PubChem (CID 160766157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).