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

C246H284F10O65S10 — CID 158768106

IUPACtris(1-adamantylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate);bis([4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);bis([4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);[4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate)
SMILESCC(C)(C)OC(=O)OC12CC3CC(CC(COC(=O)COc4ccc([S+](c5ccccc5)c5ccccc5)cc4)(C3)C1)C2.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(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(C3)C1)C2)C(F)(F)SOO[O-].O=C(OCC12CC3CC(CC(C3)C1)C2)C(F)(F)SOO[O-].O=C(OCC12CC3CC(CC(C3)C1)C2)C(F)(F)SOO[O-].O=C1OC2C3CC(CC13)C2OC(=O)C(F)(F)SOO[O-].O=C1OC2C3CC(CC13)C2OC(=O)C(F)(F)SOO[O-]
InChIInChI=1S/2C40H47O9S.2C36H41O6S.C35H39O6S.3C13H18F2O5S.2C10H10F2O7S/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;2*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;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;3*14-13(15,21-20-19-17)11(16)18-7-12-4-8-1-9(5-12)3-10(2-8)6-12;2*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;2*4-17,26-27H,18-25H2,1-3H3;4-17,25-26H,18-24H2,1-3H3;3*8-10,17H,1-7H2;2*3-7,15H,1-2H2/q5*+1;;;;;/p-5
InChIKeyIPMZURWBXJXLFZ-UHFFFAOYSA-I
MW4791.56 g/mol
LogP47.90
Rot. Bonds72

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

tris(1-adamantylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate);bis([4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);bis([4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);[4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate) (PubChem CID 158768106) has the molecular formula C246H284F10O65S10 and a molecular weight of 4791.56 g/mol. Its IUPAC name is tris(1-adamantylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate);bis([4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);bis([4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);[4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate).

Molecular Properties

Compound Nametris(1-adamantylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate);bis([4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);bis([4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);[4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate)
PubChem CID158768106
Molecular FormulaC246H284F10O65S10
Molecular Weight4791.56 g/mol
Exact Mass4787.60
IUPAC Nametris(1-adamantylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate);bis([4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);bis([4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);[4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate)
SMILESCC(C)(C)OC(=O)OC12CC3CC(CC(COC(=O)COc4ccc([S+](c5ccccc5)c5ccccc5)cc4)(C3)C1)C2.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(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(C3)C1)C2)C(F)(F)SOO[O-].O=C(OCC12CC3CC(CC(C3)C1)C2)C(F)(F)SOO[O-].O=C(OCC12CC3CC(CC(C3)C1)C2)C(F)(F)SOO[O-].O=C1OC2C3CC(CC13)C2OC(=O)C(F)(F)SOO[O-].O=C1OC2C3CC(CC13)C2OC(=O)C(F)(F)SOO[O-]
InChIInChI=1S/2C40H47O9S.2C36H41O6S.C35H39O6S.3C13H18F2O5S.2C10H10F2O7S/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;2*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;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;3*14-13(15,21-20-19-17)11(16)18-7-12-4-8-1-9(5-12)3-10(2-8)6-12;2*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;2*4-17,26-27H,18-25H2,1-3H3;4-17,25-26H,18-24H2,1-3H3;3*8-10,17H,1-7H2;2*3-7,15H,1-2H2/q5*+1;;;;;/p-5
InChIKeyIPMZURWBXJXLFZ-UHFFFAOYSA-I
XLogP47.90
TPSA818.06 Ų
H-Bond Donors
H-Bond Acceptors70
Rotatable Bonds72
Heavy Atoms331
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004791.56
LogP ≤ 547.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1070

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tris(1-adamantylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate);bis([4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);bis([4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);[4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate)?
The IUPAC name of tris(1-adamantylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate);bis([4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);bis([4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);[4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate) (CID 158768106) is tris(1-adamantylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate);bis([4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);bis([4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);[4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate).
What is the SMILES notation for tris(1-adamantylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate);bis([4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);bis([4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);[4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate)?
The canonical SMILES for tris(1-adamantylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate);bis([4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);bis([4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);[4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis((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(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(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(C3)C1)C2)C(F)(F)SOO[O-].O=C(OCC12CC3CC(CC(C3)C1)C2)C(F)(F)SOO[O-].O=C(OCC12CC3CC(CC(C3)C1)C2)C(F)(F)SOO[O-].O=C1OC2C3CC(CC13)C2OC(=O)C(F)(F)SOO[O-].O=C1OC2C3CC(CC13)C2OC(=O)C(F)(F)SOO[O-].
What is the InChIKey of tris(1-adamantylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate);bis([4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);bis([4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);[4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate)?
The InChIKey is IPMZURWBXJXLFZ-UHFFFAOYSA-I. The full InChI is InChI=1S/2C40H47O9S.2C36H41O6S.C35H39O6S.3C13H18F2O5S.2C10H10F2O7S/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;2*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;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;3*14-13(15,21-20-19-17)11(16)18-7-12-4-8-1-9(5-12)3-10(2-8)6-12;2*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;2*4-17,26-27H,18-25H2,1-3H3;4-17,25-26H,18-24H2,1-3H3;3*8-10,17H,1-7H2;2*3-7,15H,1-2H2/q5*+1;;;;;/p-5.
What are the key properties of tris(1-adamantylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate);bis([4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);bis([4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);[4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate)?
tris(1-adamantylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate);bis([4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);bis([4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);[4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate) has a molecular weight of 4791.56 g/mol, XLogP of 47.90, 72 rotatable bonds, 0 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-adamantylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate);bis([4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);bis([4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]methoxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);[4-[2-[[3-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;bis((5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate) is sourced from PubChem (CID 158768106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).