bis([4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);(3-hydroxy-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;[4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis([4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);tris((4-oxo-1-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate

C245H278F10O67S10 — CID 159762765

About bis([4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);(3-hydroxy-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;[4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis([4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);tris((4-oxo-1-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate

bis([4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);(3-hydroxy-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;[4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis([4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);tris((4-oxo-1-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate (PubChem CID 159762765) has the molecular formula C245H278F10O67S10 and a molecular weight of 4805.50 g/mol. Its IUPAC name is bis([4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);(3-hydroxy-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;[4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis([4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);tris((4-oxo-1-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate.

Molecular Properties

• Compound Name: bis([4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);(3-hydroxy-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;[4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis([4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);tris((4-oxo-1-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate
• PubChem CID: 159762765
• Molecular Formula: C245H278F10O67S10
• Molecular Weight: 4805.50 g/mol
• Exact Mass: 4801.54
• IUPAC Name: bis([4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);(3-hydroxy-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;[4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis([4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);tris((4-oxo-1-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate
• SMILES: CC(C)(C)OC(=O)OC12CC3CC(CC(COC(=O)COc4ccc([S+](c5ccccc5)c5ccccc5)cc4)(C3)C1)C2.CC(C)(C)OC(=O)OC12CC3CC(CC(OC(=O)COc4ccc([S+](c5ccccc5)c5ccccc5)cc4)(C3)C1)C2.CC(C)(C)OC(=O)OC12CC3CC(CC(OC(=O)COc4ccc([S+](c5ccccc5)c5ccccc5)cc4)(C3)C1)C2.CC(C)(C)OC(=O)OC12CC3CC(OC(=O)COc4ccc([S+](c5ccccc5)c5ccccc5)cc4)(C1)CC(OC(=O)OC(C)(C)C)(C3)C2.CC(C)(C)OC(=O)OC12CC3CC(OC(=O)COc4ccc([S+](c5ccccc5)c5ccccc5)cc4)(C1)CC(OC(=O)OC(C)(C)C)(C3)C2.O=C(OCC12CC3CC(CC(O)(C3)C1)C2)C(F)(F)SOO[O-].O=C1C2CC3CC1CC(OC(=O)C(F)(F)SOO[O-])(C3)C2.O=C1C2CC3CC1CC(OC(=O)C(F)(F)SOO[O-])(C3)C2.O=C1C2CC3CC1CC(OC(=O)C(F)(F)SOO[O-])(C3)C2.O=C1OC2C3CC(CC13)C2OC(=O)C(F)(F)SOO[O-]
• InChI: InChI=1S/2C40H47O9S.C36H41O6S.2C35H39O6S.C13H18F2O6S.3C12H14F2O6S.C10H10F2O7S/c2*1-36(2,3)46-34(42)48-39-22-28-21-38(25-39,26-40(23-28,27-39)49-35(43)47-37(4,5)6)45-33(41)24-44-29-17-19-32(20-18-29)50(30-13-9-7-10-14-30)31-15-11-8-12-16-31;1-34(2,3)41-33(38)42-36-21-26-18-27(22-36)20-35(19-26,24-36)25-40-32(37)23-39-28-14-16-31(17-15-28)43(29-10-6-4-7-11-29)30-12-8-5-9-13-30;2*1-33(2,3)40-32(37)41-35-21-25-18-26(22-35)20-34(19-25,24-35)39-31(36)23-38-27-14-16-30(17-15-27)42(28-10-6-4-7-11-28)29-12-8-5-9-13-29;14-13(15,22-21-20-18)10(16)19-7-11-2-8-1-9(3-11)5-12(17,4-8)6-11;3*13-12(14,21-20-19-17)10(16)18-11-3-6-1-7(4-11)9(15)8(2-6)5-11;11-10(12,20-19-18-15)9(14)17-6-3-1-4-5(2-3)8(13)16-7(4)6/h2*7-20,28H,21-27H2,1-6H3;4-17,26-27H,18-25H2,1-3H3;2*4-17,25-26H,18-24H2,1-3H3;8-9,17-18H,1-7H2;3*6-8,17H,1-5H2;3-7,15H,1-2H2/q5*+1;;;;;/p-5
• InChIKey: NFCHZOCZJJNHNI-UHFFFAOYSA-I
• XLogP: 45.83
• TPSA: 863.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 72
• Rotatable Bonds: 69
• Heavy Atoms: 332
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4805.50
LogP ≤ 5	45.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	72

Frequently Asked Questions

What is the IUPAC name of bis([4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);(3-hydroxy-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;[4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis([4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);tris((4-oxo-1-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate?

The IUPAC name of bis([4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);(3-hydroxy-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;[4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis([4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);tris((4-oxo-1-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate (CID 159762765) is bis([4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);(3-hydroxy-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;[4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis([4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);tris((4-oxo-1-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate.

What is the SMILES notation for bis([4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);(3-hydroxy-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;[4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis([4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);tris((4-oxo-1-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate?

The canonical SMILES for bis([4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);(3-hydroxy-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;[4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis([4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);tris((4-oxo-1-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate is CC(C)(C)OC(=O)OC12CC3CC(CC(COC(=O)COc4ccc([S+](c5ccccc5)c5ccccc5)cc4)(C3)C1)C2.CC(C)(C)OC(=O)OC12CC3CC(CC(OC(=O)COc4ccc([S+](c5ccccc5)c5ccccc5)cc4)(C3)C1)C2.CC(C)(C)OC(=O)OC12CC3CC(CC(OC(=O)COc4ccc([S+](c5ccccc5)c5ccccc5)cc4)(C3)C1)C2.CC(C)(C)OC(=O)OC12CC3CC(OC(=O)COc4ccc([S+](c5ccccc5)c5ccccc5)cc4)(C1)CC(OC(=O)OC(C)(C)C)(C3)C2.CC(C)(C)OC(=O)OC12CC3CC(OC(=O)COc4ccc([S+](c5ccccc5)c5ccccc5)cc4)(C1)CC(OC(=O)OC(C)(C)C)(C3)C2.O=C(OCC12CC3CC(CC(O)(C3)C1)C2)C(F)(F)SOO[O-].O=C1C2CC3CC1CC(OC(=O)C(F)(F)SOO[O-])(C3)C2.O=C1C2CC3CC1CC(OC(=O)C(F)(F)SOO[O-])(C3)C2.O=C1C2CC3CC1CC(OC(=O)C(F)(F)SOO[O-])(C3)C2.O=C1OC2C3CC(CC13)C2OC(=O)C(F)(F)SOO[O-].

What is the InChIKey of bis([4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);(3-hydroxy-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;[4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis([4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);tris((4-oxo-1-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate?

The InChIKey is NFCHZOCZJJNHNI-UHFFFAOYSA-I. The full InChI is InChI=1S/2C40H47O9S.C36H41O6S.2C35H39O6S.C13H18F2O6S.3C12H14F2O6S.C10H10F2O7S/c2*1-36(2,3)46-34(42)48-39-22-28-21-38(25-39,26-40(23-28,27-39)49-35(43)47-37(4,5)6)45-33(41)24-44-29-17-19-32(20-18-29)50(30-13-9-7-10-14-30)31-15-11-8-12-16-31;1-34(2,3)41-33(38)42-36-21-26-18-27(22-36)20-35(19-26,24-36)25-40-32(37)23-39-28-14-16-31(17-15-28)43(29-10-6-4-7-11-29)30-12-8-5-9-13-30;2*1-33(2,3)40-32(37)41-35-21-25-18-26(22-35)20-34(19-25,24-35)39-31(36)23-38-27-14-16-30(17-15-27)42(28-10-6-4-7-11-28)29-12-8-5-9-13-29;14-13(15,22-21-20-18)10(16)19-7-11-2-8-1-9(3-11)5-12(17,4-8)6-11;3*13-12(14,21-20-19-17)10(16)18-11-3-6-1-7(4-11)9(15)8(2-6)5-11;11-10(12,20-19-18-15)9(14)17-6-3-1-4-5(2-3)8(13)16-7(4)6/h2*7-20,28H,21-27H2,1-6H3;4-17,26-27H,18-25H2,1-3H3;2*4-17,25-26H,18-24H2,1-3H3;8-9,17-18H,1-7H2;3*6-8,17H,1-5H2;3-7,15H,1-2H2/q5*+1;;;;;/p-5.

What are the key properties of bis([4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);(3-hydroxy-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;[4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis([4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);tris((4-oxo-1-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate?

bis([4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);(3-hydroxy-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;[4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis([4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);tris((4-oxo-1-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate has a molecular weight of 4805.50 g/mol, XLogP of 45.83, 69 rotatable bonds, 1 hydrogen bond donors, and 72 hydrogen bond acceptors.

Where does this data come from?

All data for bis([4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);(3-hydroxy-1-adamantyl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;[4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis([4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);tris((4-oxo-1-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate is sourced from PubChem (CID 159762765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).