6-butan-2-ylnaphthalen-2-ol;tris(4-butan-2-ylphenol);bis(2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol);[2-[(6-cyano-5-oxo-2-tricyclo[4.2.1.03,7]nonanyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;cyclohexyl 2,2-dimethylbutanoate;2-cyclohexyloxyisoquinolin-2-ium;2-cyclopentylpropan-2-yl 2-(4-butan-2-ylphenoxy)acetate;2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;2-(2,2-dimethylbutanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;(1-ethylcyclopentyl) 4-butan-2-ylbenzoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;4-isocyano-1-methoxypyridin-1-ium;bis((2-methyl-2-adamantyl) 2,2-dimethylbutanoate);1-phenylmethoxypyrazin-1-ium;phenyl-(1-propoxypyridin-1-ium-4-yl)methanone;1,1,2,2-tetrafluoro-4-(2-methylbutanoyloxy)butane-1-sulfonate

C271H382F17N7O50S4 — CID 157113518

IUPAC6-butan-2-ylnaphthalen-2-ol;tris(4-butan-2-ylphenol);bis(2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol);[2-[(6-cyano-5-oxo-2-tricyclo[4.2.1.03,7]nonanyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;cyclohexyl 2,2-dimethylbutanoate;2-cyclohexyloxyisoquinolin-2-ium;2-cyclopentylpropan-2-yl 2-(4-butan-2-ylphenoxy)acetate;2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;2-(2,2-dimethylbutanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;(1-ethylcyclopentyl) 4-butan-2-ylbenzoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;4-isocyano-1-methoxypyridin-1-ium;bis((2-methyl-2-adamantyl) 2,2-dimethylbutanoate);1-phenylmethoxypyrazin-1-ium;phenyl-(1-propoxypyridin-1-ium-4-yl)methanone;1,1,2,2-tetrafluoro-4-(2-methylbutanoyloxy)butane-1-sulfonate
SMILESCCC(C)(C)C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OC1(C)C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OC1(C)C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC1CCCCC1.CCC(C)(C)C(=O)OCC(=O)OC1C2CC3C1CC(=O)C3(C#N)C2.CCC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OCCCS(=O)(=O)[O-].CCC(C)C(=O)OCCC(F)(F)C(F)(F)S(=O)(=O)[O-].CCC(C)c1ccc(C(=O)OC2(CC)CCCC2)cc1.CCC(C)c1ccc(C(C)(O)C(F)(F)F)cc1.CCC(C)c1ccc(C(C)(O)C(F)(F)F)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OCC(=O)OC(C)(C)C2CCCC2)cc1.CCC(C)c1ccc2cc(O)ccc2c1.CCCO[n+]1ccc(C(=O)c2ccccc2)cc1.[C-]#[N+]c1cc[n+](OC)cc1.c1ccc(CO[n+]2ccncc2)cc1.c1ccc2c[n+](OC3CCCCC3)ccc2c1
InChIInChI=1S/C20H30O3.C18H23NO5.C18H26O2.2C17H28O2.C16H26O3.C15H16NO2.C15H18NO.C14H16O.2C13H17F3O.C12H22O2.C11H11N2O.3C10H14O.C9H13F5O5S.C9H14F4O5S.C9H18O5S.C8H14F2O5S.C7H7N2O/c1-5-15(2)16-10-12-18(13-11-16)22-14-19(21)23-20(3,4)17-8-6-7-9-17;1-4-17(2,3)16(22)23-8-14(21)24-15-10-5-12-11(15)6-13(20)18(12,7-10)9-19;1-4-14(3)15-8-10-16(11-9-15)17(19)20-18(5-2)12-6-7-13-18;2*1-5-16(2,3)15(18)19-17(4)13-7-11-6-12(9-13)10-14(17)8-11;1-4-14(2,3)13(17)19-16-8-11-5-12(9-16)7-15(18,6-11)10-16;1-2-12-18-16-10-8-14(9-11-16)15(17)13-6-4-3-5-7-13;1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16;1-3-10(2)11-4-5-13-9-14(15)7-6-12(13)8-11;2*1-4-9(2)10-5-7-11(8-6-10)12(3,17)13(14,15)16;1-4-12(2,3)11(13)14-10-8-6-5-7-9-10;1-2-4-11(5-3-1)10-14-13-8-6-12-7-9-13;3*1-3-8(2)9-4-6-10(11)7-5-9;1-4-7(2,3)6(15)19-5(8(10,11)12)9(13,14)20(16,17)18;1-3-6(2)7(14)18-5-4-8(10,11)9(12,13)19(15,16)17;1-4-9(2,3)8(10)14-6-5-7-15(11,12)13;1-4-7(2,3)6(11)15-5-8(9,10)16(12,13)14;1-8-7-3-5-9(10-2)6-4-7/h10-13,15,17H,5-9,14H2,1-4H3;10-12,15H,4-8H2,1-3H3;8-11,14H,4-7,12-13H2,1-3H3;2*11-14H,5-10H2,1-4H3;11-12,18H,4-10H2,1-3H3;3-11H,2,12H2,1H3;4-7,10-12,15H,1-3,8-9H2;4-10,15H,3H2,1-2H3;2*5-9,17H,4H2,1-3H3;10H,4-9H2,1-3H3;1-9H,10H2;3*4-8,11H,3H2,1-2H3;5H,4H2,1-3H3,(H,16,17,18);6H,3-5H2,1-2H3,(H,15,16,17);4-7H2,1-3H3,(H,11,12,13);4-5H2,1-3H3,(H,12,13,14);3-6H,2H3/q;;;;;;2*+1;;;;;+1;;;;;;;;+1/p-4
InChIKeyAHCVFBHEIIHFNK-UHFFFAOYSA-J
MW4989.27 g/mol
LogP59.90
Rot. Bonds77

About 6-butan-2-ylnaphthalen-2-ol;tris(4-butan-2-ylphenol);bis(2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol);[2-[(6-cyano-5-oxo-2-tricyclo[4.2.1.03,7]nonanyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;cyclohexyl 2,2-dimethylbutanoate;2-cyclohexyloxyisoquinolin-2-ium;2-cyclopentylpropan-2-yl 2-(4-butan-2-ylphenoxy)acetate;2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;2-(2,2-dimethylbutanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;(1-ethylcyclopentyl) 4-butan-2-ylbenzoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;4-isocyano-1-methoxypyridin-1-ium;bis((2-methyl-2-adamantyl) 2,2-dimethylbutanoate);1-phenylmethoxypyrazin-1-ium;phenyl-(1-propoxypyridin-1-ium-4-yl)methanone;1,1,2,2-tetrafluoro-4-(2-methylbutanoyloxy)butane-1-sulfonate

6-butan-2-ylnaphthalen-2-ol;tris(4-butan-2-ylphenol);bis(2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol);[2-[(6-cyano-5-oxo-2-tricyclo[4.2.1.03,7]nonanyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;cyclohexyl 2,2-dimethylbutanoate;2-cyclohexyloxyisoquinolin-2-ium;2-cyclopentylpropan-2-yl 2-(4-butan-2-ylphenoxy)acetate;2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;2-(2,2-dimethylbutanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;(1-ethylcyclopentyl) 4-butan-2-ylbenzoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;4-isocyano-1-methoxypyridin-1-ium;bis((2-methyl-2-adamantyl) 2,2-dimethylbutanoate);1-phenylmethoxypyrazin-1-ium;phenyl-(1-propoxypyridin-1-ium-4-yl)methanone;1,1,2,2-tetrafluoro-4-(2-methylbutanoyloxy)butane-1-sulfonate (PubChem CID 157113518) has the molecular formula C271H382F17N7O50S4 and a molecular weight of 4989.27 g/mol. Its IUPAC name is 6-butan-2-ylnaphthalen-2-ol;tris(4-butan-2-ylphenol);bis(2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol);[2-[(6-cyano-5-oxo-2-tricyclo[4.2.1.03,7]nonanyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;cyclohexyl 2,2-dimethylbutanoate;2-cyclohexyloxyisoquinolin-2-ium;2-cyclopentylpropan-2-yl 2-(4-butan-2-ylphenoxy)acetate;2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;2-(2,2-dimethylbutanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;(1-ethylcyclopentyl) 4-butan-2-ylbenzoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;4-isocyano-1-methoxypyridin-1-ium;bis((2-methyl-2-adamantyl) 2,2-dimethylbutanoate);1-phenylmethoxypyrazin-1-ium;phenyl-(1-propoxypyridin-1-ium-4-yl)methanone;1,1,2,2-tetrafluoro-4-(2-methylbutanoyloxy)butane-1-sulfonate.

Molecular Properties

Compound Name6-butan-2-ylnaphthalen-2-ol;tris(4-butan-2-ylphenol);bis(2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol);[2-[(6-cyano-5-oxo-2-tricyclo[4.2.1.03,7]nonanyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;cyclohexyl 2,2-dimethylbutanoate;2-cyclohexyloxyisoquinolin-2-ium;2-cyclopentylpropan-2-yl 2-(4-butan-2-ylphenoxy)acetate;2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;2-(2,2-dimethylbutanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;(1-ethylcyclopentyl) 4-butan-2-ylbenzoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;4-isocyano-1-methoxypyridin-1-ium;bis((2-methyl-2-adamantyl) 2,2-dimethylbutanoate);1-phenylmethoxypyrazin-1-ium;phenyl-(1-propoxypyridin-1-ium-4-yl)methanone;1,1,2,2-tetrafluoro-4-(2-methylbutanoyloxy)butane-1-sulfonate
PubChem CID157113518
Molecular FormulaC271H382F17N7O50S4
Molecular Weight4989.27 g/mol
Exact Mass4985.62
IUPAC Name6-butan-2-ylnaphthalen-2-ol;tris(4-butan-2-ylphenol);bis(2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol);[2-[(6-cyano-5-oxo-2-tricyclo[4.2.1.03,7]nonanyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;cyclohexyl 2,2-dimethylbutanoate;2-cyclohexyloxyisoquinolin-2-ium;2-cyclopentylpropan-2-yl 2-(4-butan-2-ylphenoxy)acetate;2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;2-(2,2-dimethylbutanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;(1-ethylcyclopentyl) 4-butan-2-ylbenzoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;4-isocyano-1-methoxypyridin-1-ium;bis((2-methyl-2-adamantyl) 2,2-dimethylbutanoate);1-phenylmethoxypyrazin-1-ium;phenyl-(1-propoxypyridin-1-ium-4-yl)methanone;1,1,2,2-tetrafluoro-4-(2-methylbutanoyloxy)butane-1-sulfonate
SMILESCCC(C)(C)C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OC1(C)C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OC1(C)C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC1CCCCC1.CCC(C)(C)C(=O)OCC(=O)OC1C2CC3C1CC(=O)C3(C#N)C2.CCC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OCCCS(=O)(=O)[O-].CCC(C)C(=O)OCCC(F)(F)C(F)(F)S(=O)(=O)[O-].CCC(C)c1ccc(C(=O)OC2(CC)CCCC2)cc1.CCC(C)c1ccc(C(C)(O)C(F)(F)F)cc1.CCC(C)c1ccc(C(C)(O)C(F)(F)F)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OCC(=O)OC(C)(C)C2CCCC2)cc1.CCC(C)c1ccc2cc(O)ccc2c1.CCCO[n+]1ccc(C(=O)c2ccccc2)cc1.[C-]#[N+]c1cc[n+](OC)cc1.c1ccc(CO[n+]2ccncc2)cc1.c1ccc2c[n+](OC3CCCCC3)ccc2c1
InChIInChI=1S/C20H30O3.C18H23NO5.C18H26O2.2C17H28O2.C16H26O3.C15H16NO2.C15H18NO.C14H16O.2C13H17F3O.C12H22O2.C11H11N2O.3C10H14O.C9H13F5O5S.C9H14F4O5S.C9H18O5S.C8H14F2O5S.C7H7N2O/c1-5-15(2)16-10-12-18(13-11-16)22-14-19(21)23-20(3,4)17-8-6-7-9-17;1-4-17(2,3)16(22)23-8-14(21)24-15-10-5-12-11(15)6-13(20)18(12,7-10)9-19;1-4-14(3)15-8-10-16(11-9-15)17(19)20-18(5-2)12-6-7-13-18;2*1-5-16(2,3)15(18)19-17(4)13-7-11-6-12(9-13)10-14(17)8-11;1-4-14(2,3)13(17)19-16-8-11-5-12(9-16)7-15(18,6-11)10-16;1-2-12-18-16-10-8-14(9-11-16)15(17)13-6-4-3-5-7-13;1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16;1-3-10(2)11-4-5-13-9-14(15)7-6-12(13)8-11;2*1-4-9(2)10-5-7-11(8-6-10)12(3,17)13(14,15)16;1-4-12(2,3)11(13)14-10-8-6-5-7-9-10;1-2-4-11(5-3-1)10-14-13-8-6-12-7-9-13;3*1-3-8(2)9-4-6-10(11)7-5-9;1-4-7(2,3)6(15)19-5(8(10,11)12)9(13,14)20(16,17)18;1-3-6(2)7(14)18-5-4-8(10,11)9(12,13)19(15,16)17;1-4-9(2,3)8(10)14-6-5-7-15(11,12)13;1-4-7(2,3)6(11)15-5-8(9,10)16(12,13)14;1-8-7-3-5-9(10-2)6-4-7/h10-13,15,17H,5-9,14H2,1-4H3;10-12,15H,4-8H2,1-3H3;8-11,14H,4-7,12-13H2,1-3H3;2*11-14H,5-10H2,1-4H3;11-12,18H,4-10H2,1-3H3;3-11H,2,12H2,1H3;4-7,10-12,15H,1-3,8-9H2;4-10,15H,3H2,1-2H3;2*5-9,17H,4H2,1-3H3;10H,4-9H2,1-3H3;1-9H,10H2;3*4-8,11H,3H2,1-2H3;5H,4H2,1-3H3,(H,16,17,18);6H,3-5H2,1-2H3,(H,15,16,17);4-7H2,1-3H3,(H,11,12,13);4-5H2,1-3H3,(H,12,13,14);3-6H,2H3/q;;;;;;2*+1;;;;;+1;;;;;;;;+1/p-4
InChIKeyAHCVFBHEIIHFNK-UHFFFAOYSA-J
XLogP59.90
TPSA822.86 Ų
H-Bond Donors7
H-Bond Acceptors52
Rotatable Bonds77
Heavy Atoms349
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004989.27
LogP ≤ 559.90
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1052

Analyze 6-butan-2-ylnaphthalen-2-ol;tris(4-butan-2-ylphenol);bis(2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol);[2-[(6-cyano-5-oxo-2-tricyclo[4.2.1.03,7]nonanyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;cyclohexyl 2,2-dimethylbutanoate;2-cyclohexyloxyisoquinolin-2-ium;2-cyclopentylpropan-2-yl 2-(4-butan-2-ylphenoxy)acetate;2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;2-(2,2-dimethylbutanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;(1-ethylcyclopentyl) 4-butan-2-ylbenzoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;4-isocyano-1-methoxypyridin-1-ium;bis((2-methyl-2-adamantyl) 2,2-dimethylbutanoate);1-phenylmethoxypyrazin-1-ium;phenyl-(1-propoxypyridin-1-ium-4-yl)methanone;1,1,2,2-tetrafluoro-4-(2-methylbutanoyloxy)butane-1-sulfonate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-ylnaphthalen-2-ol;tris(4-butan-2-ylphenol);bis(2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol);[2-[(6-cyano-5-oxo-2-tricyclo[4.2.1.03,7]nonanyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;cyclohexyl 2,2-dimethylbutanoate;2-cyclohexyloxyisoquinolin-2-ium;2-cyclopentylpropan-2-yl 2-(4-butan-2-ylphenoxy)acetate;2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;2-(2,2-dimethylbutanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;(1-ethylcyclopentyl) 4-butan-2-ylbenzoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;4-isocyano-1-methoxypyridin-1-ium;bis((2-methyl-2-adamantyl) 2,2-dimethylbutanoate);1-phenylmethoxypyrazin-1-ium;phenyl-(1-propoxypyridin-1-ium-4-yl)methanone;1,1,2,2-tetrafluoro-4-(2-methylbutanoyloxy)butane-1-sulfonate?
The IUPAC name of 6-butan-2-ylnaphthalen-2-ol;tris(4-butan-2-ylphenol);bis(2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol);[2-[(6-cyano-5-oxo-2-tricyclo[4.2.1.03,7]nonanyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;cyclohexyl 2,2-dimethylbutanoate;2-cyclohexyloxyisoquinolin-2-ium;2-cyclopentylpropan-2-yl 2-(4-butan-2-ylphenoxy)acetate;2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;2-(2,2-dimethylbutanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;(1-ethylcyclopentyl) 4-butan-2-ylbenzoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;4-isocyano-1-methoxypyridin-1-ium;bis((2-methyl-2-adamantyl) 2,2-dimethylbutanoate);1-phenylmethoxypyrazin-1-ium;phenyl-(1-propoxypyridin-1-ium-4-yl)methanone;1,1,2,2-tetrafluoro-4-(2-methylbutanoyloxy)butane-1-sulfonate (CID 157113518) is 6-butan-2-ylnaphthalen-2-ol;tris(4-butan-2-ylphenol);bis(2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol);[2-[(6-cyano-5-oxo-2-tricyclo[4.2.1.03,7]nonanyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;cyclohexyl 2,2-dimethylbutanoate;2-cyclohexyloxyisoquinolin-2-ium;2-cyclopentylpropan-2-yl 2-(4-butan-2-ylphenoxy)acetate;2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;2-(2,2-dimethylbutanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;(1-ethylcyclopentyl) 4-butan-2-ylbenzoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;4-isocyano-1-methoxypyridin-1-ium;bis((2-methyl-2-adamantyl) 2,2-dimethylbutanoate);1-phenylmethoxypyrazin-1-ium;phenyl-(1-propoxypyridin-1-ium-4-yl)methanone;1,1,2,2-tetrafluoro-4-(2-methylbutanoyloxy)butane-1-sulfonate.
What is the SMILES notation for 6-butan-2-ylnaphthalen-2-ol;tris(4-butan-2-ylphenol);bis(2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol);[2-[(6-cyano-5-oxo-2-tricyclo[4.2.1.03,7]nonanyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;cyclohexyl 2,2-dimethylbutanoate;2-cyclohexyloxyisoquinolin-2-ium;2-cyclopentylpropan-2-yl 2-(4-butan-2-ylphenoxy)acetate;2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;2-(2,2-dimethylbutanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;(1-ethylcyclopentyl) 4-butan-2-ylbenzoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;4-isocyano-1-methoxypyridin-1-ium;bis((2-methyl-2-adamantyl) 2,2-dimethylbutanoate);1-phenylmethoxypyrazin-1-ium;phenyl-(1-propoxypyridin-1-ium-4-yl)methanone;1,1,2,2-tetrafluoro-4-(2-methylbutanoyloxy)butane-1-sulfonate?
The canonical SMILES for 6-butan-2-ylnaphthalen-2-ol;tris(4-butan-2-ylphenol);bis(2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol);[2-[(6-cyano-5-oxo-2-tricyclo[4.2.1.03,7]nonanyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;cyclohexyl 2,2-dimethylbutanoate;2-cyclohexyloxyisoquinolin-2-ium;2-cyclopentylpropan-2-yl 2-(4-butan-2-ylphenoxy)acetate;2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;2-(2,2-dimethylbutanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;(1-ethylcyclopentyl) 4-butan-2-ylbenzoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;4-isocyano-1-methoxypyridin-1-ium;bis((2-methyl-2-adamantyl) 2,2-dimethylbutanoate);1-phenylmethoxypyrazin-1-ium;phenyl-(1-propoxypyridin-1-ium-4-yl)methanone;1,1,2,2-tetrafluoro-4-(2-methylbutanoyloxy)butane-1-sulfonate is CCC(C)(C)C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OC1(C)C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OC1(C)C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC1CCCCC1.CCC(C)(C)C(=O)OCC(=O)OC1C2CC3C1CC(=O)C3(C#N)C2.CCC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OCCCS(=O)(=O)[O-].CCC(C)C(=O)OCCC(F)(F)C(F)(F)S(=O)(=O)[O-].CCC(C)c1ccc(C(=O)OC2(CC)CCCC2)cc1.CCC(C)c1ccc(C(C)(O)C(F)(F)F)cc1.CCC(C)c1ccc(C(C)(O)C(F)(F)F)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OCC(=O)OC(C)(C)C2CCCC2)cc1.CCC(C)c1ccc2cc(O)ccc2c1.CCCO[n+]1ccc(C(=O)c2ccccc2)cc1.[C-]#[N+]c1cc[n+](OC)cc1.c1ccc(CO[n+]2ccncc2)cc1.c1ccc2c[n+](OC3CCCCC3)ccc2c1.
What is the InChIKey of 6-butan-2-ylnaphthalen-2-ol;tris(4-butan-2-ylphenol);bis(2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol);[2-[(6-cyano-5-oxo-2-tricyclo[4.2.1.03,7]nonanyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;cyclohexyl 2,2-dimethylbutanoate;2-cyclohexyloxyisoquinolin-2-ium;2-cyclopentylpropan-2-yl 2-(4-butan-2-ylphenoxy)acetate;2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;2-(2,2-dimethylbutanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;(1-ethylcyclopentyl) 4-butan-2-ylbenzoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;4-isocyano-1-methoxypyridin-1-ium;bis((2-methyl-2-adamantyl) 2,2-dimethylbutanoate);1-phenylmethoxypyrazin-1-ium;phenyl-(1-propoxypyridin-1-ium-4-yl)methanone;1,1,2,2-tetrafluoro-4-(2-methylbutanoyloxy)butane-1-sulfonate?
The InChIKey is AHCVFBHEIIHFNK-UHFFFAOYSA-J. The full InChI is InChI=1S/C20H30O3.C18H23NO5.C18H26O2.2C17H28O2.C16H26O3.C15H16NO2.C15H18NO.C14H16O.2C13H17F3O.C12H22O2.C11H11N2O.3C10H14O.C9H13F5O5S.C9H14F4O5S.C9H18O5S.C8H14F2O5S.C7H7N2O/c1-5-15(2)16-10-12-18(13-11-16)22-14-19(21)23-20(3,4)17-8-6-7-9-17;1-4-17(2,3)16(22)23-8-14(21)24-15-10-5-12-11(15)6-13(20)18(12,7-10)9-19;1-4-14(3)15-8-10-16(11-9-15)17(19)20-18(5-2)12-6-7-13-18;2*1-5-16(2,3)15(18)19-17(4)13-7-11-6-12(9-13)10-14(17)8-11;1-4-14(2,3)13(17)19-16-8-11-5-12(9-16)7-15(18,6-11)10-16;1-2-12-18-16-10-8-14(9-11-16)15(17)13-6-4-3-5-7-13;1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16;1-3-10(2)11-4-5-13-9-14(15)7-6-12(13)8-11;2*1-4-9(2)10-5-7-11(8-6-10)12(3,17)13(14,15)16;1-4-12(2,3)11(13)14-10-8-6-5-7-9-10;1-2-4-11(5-3-1)10-14-13-8-6-12-7-9-13;3*1-3-8(2)9-4-6-10(11)7-5-9;1-4-7(2,3)6(15)19-5(8(10,11)12)9(13,14)20(16,17)18;1-3-6(2)7(14)18-5-4-8(10,11)9(12,13)19(15,16)17;1-4-9(2,3)8(10)14-6-5-7-15(11,12)13;1-4-7(2,3)6(11)15-5-8(9,10)16(12,13)14;1-8-7-3-5-9(10-2)6-4-7/h10-13,15,17H,5-9,14H2,1-4H3;10-12,15H,4-8H2,1-3H3;8-11,14H,4-7,12-13H2,1-3H3;2*11-14H,5-10H2,1-4H3;11-12,18H,4-10H2,1-3H3;3-11H,2,12H2,1H3;4-7,10-12,15H,1-3,8-9H2;4-10,15H,3H2,1-2H3;2*5-9,17H,4H2,1-3H3;10H,4-9H2,1-3H3;1-9H,10H2;3*4-8,11H,3H2,1-2H3;5H,4H2,1-3H3,(H,16,17,18);6H,3-5H2,1-2H3,(H,15,16,17);4-7H2,1-3H3,(H,11,12,13);4-5H2,1-3H3,(H,12,13,14);3-6H,2H3/q;;;;;;2*+1;;;;;+1;;;;;;;;+1/p-4.
What are the key properties of 6-butan-2-ylnaphthalen-2-ol;tris(4-butan-2-ylphenol);bis(2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol);[2-[(6-cyano-5-oxo-2-tricyclo[4.2.1.03,7]nonanyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;cyclohexyl 2,2-dimethylbutanoate;2-cyclohexyloxyisoquinolin-2-ium;2-cyclopentylpropan-2-yl 2-(4-butan-2-ylphenoxy)acetate;2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;2-(2,2-dimethylbutanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;(1-ethylcyclopentyl) 4-butan-2-ylbenzoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;4-isocyano-1-methoxypyridin-1-ium;bis((2-methyl-2-adamantyl) 2,2-dimethylbutanoate);1-phenylmethoxypyrazin-1-ium;phenyl-(1-propoxypyridin-1-ium-4-yl)methanone;1,1,2,2-tetrafluoro-4-(2-methylbutanoyloxy)butane-1-sulfonate?
6-butan-2-ylnaphthalen-2-ol;tris(4-butan-2-ylphenol);bis(2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol);[2-[(6-cyano-5-oxo-2-tricyclo[4.2.1.03,7]nonanyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;cyclohexyl 2,2-dimethylbutanoate;2-cyclohexyloxyisoquinolin-2-ium;2-cyclopentylpropan-2-yl 2-(4-butan-2-ylphenoxy)acetate;2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;2-(2,2-dimethylbutanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;(1-ethylcyclopentyl) 4-butan-2-ylbenzoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;4-isocyano-1-methoxypyridin-1-ium;bis((2-methyl-2-adamantyl) 2,2-dimethylbutanoate);1-phenylmethoxypyrazin-1-ium;phenyl-(1-propoxypyridin-1-ium-4-yl)methanone;1,1,2,2-tetrafluoro-4-(2-methylbutanoyloxy)butane-1-sulfonate has a molecular weight of 4989.27 g/mol, XLogP of 59.90, 77 rotatable bonds, 7 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-ylnaphthalen-2-ol;tris(4-butan-2-ylphenol);bis(2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol);[2-[(6-cyano-5-oxo-2-tricyclo[4.2.1.03,7]nonanyl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;cyclohexyl 2,2-dimethylbutanoate;2-cyclohexyloxyisoquinolin-2-ium;2-cyclopentylpropan-2-yl 2-(4-butan-2-ylphenoxy)acetate;2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;2-(2,2-dimethylbutanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;(1-ethylcyclopentyl) 4-butan-2-ylbenzoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;4-isocyano-1-methoxypyridin-1-ium;bis((2-methyl-2-adamantyl) 2,2-dimethylbutanoate);1-phenylmethoxypyrazin-1-ium;phenyl-(1-propoxypyridin-1-ium-4-yl)methanone;1,1,2,2-tetrafluoro-4-(2-methylbutanoyloxy)butane-1-sulfonate is sourced from PubChem (CID 157113518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).