About (1-benzylcyclopentyl) 2,2-dimethylbutanoate;4-butan-2-ylbenzenesulfonate;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;4-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluorobutane-1-sulfonate;1,2-dimethyl-1,2-dihydroacenaphthylene;1,2-dimethyl-2,3-dihydro-1H-indene;bis((4-hydroxyphenyl) 2,2-dimethylbutanoate);[4-[(2-methylpropan-2-yl)oxy]phenyl] 2,2-dimethylbutanoate;[4-[2-methyl-1-(8-tricyclo[5.2.1.02,6]decanyloxy)propoxy]phenyl] 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;10-phenylphenoxathiin-10-ium;tris(triphenylsulfanium)
(1-benzylcyclopentyl) 2,2-dimethylbutanoate;4-butan-2-ylbenzenesulfonate;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;4-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluorobutane-1-sulfonate;1,2-dimethyl-1,2-dihydroacenaphthylene;1,2-dimethyl-2,3-dihydro-1H-indene;bis((4-hydroxyphenyl) 2,2-dimethylbutanoate);[4-[(2-methylpropan-2-yl)oxy]phenyl] 2,2-dimethylbutanoate;[4-[2-methyl-1-(8-tricyclo[5.2.1.02,6]decanyloxy)propoxy]phenyl] 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;10-phenylphenoxathiin-10-ium;tris(triphenylsulfanium) (PubChem CID 158278289) has the molecular formula C284H358F14O47S8
and a molecular weight of 5046.45 g/mol. Its IUPAC name is (1-benzylcyclopentyl) 2,2-dimethylbutanoate;4-butan-2-ylbenzenesulfonate;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;4-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluorobutane-1-sulfonate;1,2-dimethyl-1,2-dihydroacenaphthylene;1,2-dimethyl-2,3-dihydro-1H-indene;bis((4-hydroxyphenyl) 2,2-dimethylbutanoate);[4-[(2-methylpropan-2-yl)oxy]phenyl] 2,2-dimethylbutanoate;[4-[2-methyl-1-(8-tricyclo[5.2.1.02,6]decanyloxy)propoxy]phenyl] 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;10-phenylphenoxathiin-10-ium;tris(triphenylsulfanium).
Frequently Asked Questions
What is the IUPAC name of (1-benzylcyclopentyl) 2,2-dimethylbutanoate;4-butan-2-ylbenzenesulfonate;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;4-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluorobutane-1-sulfonate;1,2-dimethyl-1,2-dihydroacenaphthylene;1,2-dimethyl-2,3-dihydro-1H-indene;bis((4-hydroxyphenyl) 2,2-dimethylbutanoate);[4-[(2-methylpropan-2-yl)oxy]phenyl] 2,2-dimethylbutanoate;[4-[2-methyl-1-(8-tricyclo[5.2.1.02,6]decanyloxy)propoxy]phenyl] 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;10-phenylphenoxathiin-10-ium;tris(triphenylsulfanium)?
The IUPAC name of (1-benzylcyclopentyl) 2,2-dimethylbutanoate;4-butan-2-ylbenzenesulfonate;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;4-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluorobutane-1-sulfonate;1,2-dimethyl-1,2-dihydroacenaphthylene;1,2-dimethyl-2,3-dihydro-1H-indene;bis((4-hydroxyphenyl) 2,2-dimethylbutanoate);[4-[(2-methylpropan-2-yl)oxy]phenyl] 2,2-dimethylbutanoate;[4-[2-methyl-1-(8-tricyclo[5.2.1.02,6]decanyloxy)propoxy]phenyl] 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;10-phenylphenoxathiin-10-ium;tris(triphenylsulfanium) (CID 158278289) is (1-benzylcyclopentyl) 2,2-dimethylbutanoate;4-butan-2-ylbenzenesulfonate;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;4-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluorobutane-1-sulfonate;1,2-dimethyl-1,2-dihydroacenaphthylene;1,2-dimethyl-2,3-dihydro-1H-indene;bis((4-hydroxyphenyl) 2,2-dimethylbutanoate);[4-[(2-methylpropan-2-yl)oxy]phenyl] 2,2-dimethylbutanoate;[4-[2-methyl-1-(8-tricyclo[5.2.1.02,6]decanyloxy)propoxy]phenyl] 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;10-phenylphenoxathiin-10-ium;tris(triphenylsulfanium).
What is the SMILES notation for (1-benzylcyclopentyl) 2,2-dimethylbutanoate;4-butan-2-ylbenzenesulfonate;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;4-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluorobutane-1-sulfonate;1,2-dimethyl-1,2-dihydroacenaphthylene;1,2-dimethyl-2,3-dihydro-1H-indene;bis((4-hydroxyphenyl) 2,2-dimethylbutanoate);[4-[(2-methylpropan-2-yl)oxy]phenyl] 2,2-dimethylbutanoate;[4-[2-methyl-1-(8-tricyclo[5.2.1.02,6]decanyloxy)propoxy]phenyl] 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;10-phenylphenoxathiin-10-ium;tris(triphenylsulfanium)?
The canonical SMILES for (1-benzylcyclopentyl) 2,2-dimethylbutanoate;4-butan-2-ylbenzenesulfonate;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;4-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluorobutane-1-sulfonate;1,2-dimethyl-1,2-dihydroacenaphthylene;1,2-dimethyl-2,3-dihydro-1H-indene;bis((4-hydroxyphenyl) 2,2-dimethylbutanoate);[4-[(2-methylpropan-2-yl)oxy]phenyl] 2,2-dimethylbutanoate;[4-[2-methyl-1-(8-tricyclo[5.2.1.02,6]decanyloxy)propoxy]phenyl] 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;10-phenylphenoxathiin-10-ium;tris(triphenylsulfanium) is CC1Cc2ccccc2C1C.CC1c2cccc3cccc(c23)C1C.CCC(C)(C)C(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OC1(Cc2ccccc2)CCCC1.CCC(C)(C)C(=O)OC12CC3CC(O)(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OCC(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OCCC(F)(F)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)Oc1ccc(O)cc1.CCC(C)(C)C(=O)Oc1ccc(O)cc1.CCC(C)(C)C(=O)Oc1ccc(OC(C)(C)C)cc1.CCC(C)(C)C(=O)Oc1ccc(OC(OC2CC3CC2C2CCCC32)C(C)C)cc1.CCC(C)c1ccc(C(C)(O)C(F)(F)F)cc1.CCC(C)c1ccc(OC(C)OCCC2CCCCC2)cc1.CCC(C)c1ccc(S(=O)(=O)[O-])cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of (1-benzylcyclopentyl) 2,2-dimethylbutanoate;4-butan-2-ylbenzenesulfonate;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;4-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluorobutane-1-sulfonate;1,2-dimethyl-1,2-dihydroacenaphthylene;1,2-dimethyl-2,3-dihydro-1H-indene;bis((4-hydroxyphenyl) 2,2-dimethylbutanoate);[4-[(2-methylpropan-2-yl)oxy]phenyl] 2,2-dimethylbutanoate;[4-[2-methyl-1-(8-tricyclo[5.2.1.02,6]decanyloxy)propoxy]phenyl] 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;10-phenylphenoxathiin-10-ium;tris(triphenylsulfanium)?
The InChIKey is GJWUAECIYAVIOJ-UHFFFAOYSA-J. The full InChI is InChI=1S/C26H38O4.C20H32O2.C18H26O2.C18H13OS.3C18H15S.C16H26O4.C16H24O3.C14H20O4.C14H14.C13H17F3O.2C12H16O3.C11H15F5O7S.C11H14.C10H16F4O5S.C10H14O3S.C9H16F2O5S/c1-6-26(4,5)25(27)29-19-12-10-18(11-13-19)28-24(16(2)3)30-23-15-17-14-22(23)21-9-7-8-20(17)21;1-4-16(2)19-10-12-20(13-11-19)22-17(3)21-15-14-18-8-6-5-7-9-18;1-4-17(2,3)16(19)20-18(12-8-9-13-18)14-15-10-6-5-7-11-15;1-2-8-14(9-3-1)20-17-12-6-4-10-15(17)19-16-11-5-7-13-18(16)20;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-13(2,3)12(17)20-16-7-11-5-14(18,9-16)8-15(19,6-11)10-16;1-7-16(5,6)14(17)18-12-8-10-13(11-9-12)19-15(2,3)4;1-4-14(2,3)13(16)18-10-7-5-8-9(6-7)12(15)17-11(8)10;1-9-10(2)13-8-4-6-11-5-3-7-12(9)14(11)13;1-4-9(2)10-5-7-11(8-6-10)12(3,17)13(14,15)16;2*1-4-12(2,3)11(14)15-10-7-5-9(13)6-8-10;1-4-9(2,3)8(18)22-5-6(17)23-7(10(12,13)14)11(15,16)24(19,20)21;1-8-7-10-5-3-4-6-11(10)9(8)2;1-4-8(2,3)7(15)19-6-5-9(11,12)10(13,14)20(16,17)18;1-3-8(2)9-4-6-10(7-5-9)14(11,12)13;1-5-8(3,4)7(12)16-6(2)9(10,11)17(13,14)15/h10-13,16-17,20-24H,6-9,14-15H2,1-5H3;10-13,16-18H,4-9,14-15H2,1-3H3;5-7,10-11H,4,8-9,12-14H2,1-3H3;1-13H;3*1-15H;11,18-19H,4-10H2,1-3H3;8-11H,7H2,1-6H3;7-11H,4-6H2,1-3H3;3-10H,1-2H3;5-9,17H,4H2,1-3H3;2*5-8,13H,4H2,1-3H3;7H,4-5H2,1-3H3,(H,19,20,21);3-6,8-9H,7H2,1-2H3;4-6H2,1-3H3,(H,16,17,18);4-8H,3H2,1-2H3,(H,11,12,13);6H,5H2,1-4H3,(H,13,14,15)/q;;;4*+1;;;;;;;;;;;;/p-4.
What are the key properties of (1-benzylcyclopentyl) 2,2-dimethylbutanoate;4-butan-2-ylbenzenesulfonate;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;4-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluorobutane-1-sulfonate;1,2-dimethyl-1,2-dihydroacenaphthylene;1,2-dimethyl-2,3-dihydro-1H-indene;bis((4-hydroxyphenyl) 2,2-dimethylbutanoate);[4-[(2-methylpropan-2-yl)oxy]phenyl] 2,2-dimethylbutanoate;[4-[2-methyl-1-(8-tricyclo[5.2.1.02,6]decanyloxy)propoxy]phenyl] 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;10-phenylphenoxathiin-10-ium;tris(triphenylsulfanium)?
(1-benzylcyclopentyl) 2,2-dimethylbutanoate;4-butan-2-ylbenzenesulfonate;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;4-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluorobutane-1-sulfonate;1,2-dimethyl-1,2-dihydroacenaphthylene;1,2-dimethyl-2,3-dihydro-1H-indene;bis((4-hydroxyphenyl) 2,2-dimethylbutanoate);[4-[(2-methylpropan-2-yl)oxy]phenyl] 2,2-dimethylbutanoate;[4-[2-methyl-1-(8-tricyclo[5.2.1.02,6]decanyloxy)propoxy]phenyl] 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;10-phenylphenoxathiin-10-ium;tris(triphenylsulfanium) has a molecular weight of 5046.45 g/mol, XLogP of 67.97, 72 rotatable bonds, 5 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylcyclopentyl) 2,2-dimethylbutanoate;4-butan-2-ylbenzenesulfonate;1-butan-2-yl-4-[1-(2-cyclohexylethoxy)ethoxy]benzene;2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol;(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;4-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluorobutane-1-sulfonate;1,2-dimethyl-1,2-dihydroacenaphthylene;1,2-dimethyl-2,3-dihydro-1H-indene;bis((4-hydroxyphenyl) 2,2-dimethylbutanoate);[4-[(2-methylpropan-2-yl)oxy]phenyl] 2,2-dimethylbutanoate;[4-[2-methyl-1-(8-tricyclo[5.2.1.02,6]decanyloxy)propoxy]phenyl] 2,2-dimethylbutanoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate;10-phenylphenoxathiin-10-ium;tris(triphenylsulfanium) is sourced from PubChem (CID 158278289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).