[4-[2-[[3,5-bis(methoxymethoxy)-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[[3-hydroxy-5-(methoxymethoxy)-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[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

C177H201O34S5+5 — CID 159381141

IUPAC[4-[2-[[3,5-bis(methoxymethoxy)-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[[3-hydroxy-5-(methoxymethoxy)-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[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
SMILESCC(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.COCOC12CC3CC(O)(C1)CC(OC(=O)COc1ccc([S+](c4ccccc4)c4ccccc4)cc1)(C3)C2.COCOC12CC3CC(OCOC)(C1)CC(OC(=O)COc1ccc([S+](c4ccccc4)c4ccccc4)cc1)(C3)C2
InChIInChI=1S/C40H47O9S.C36H41O6S.C35H39O6S.C34H39O7S.C32H35O6S/c1-36(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;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;1-36-24-39-32-17-26-18-33(21-32,40-25-37-2)23-34(19-26,22-32)41-31(35)20-38-27-13-15-30(16-14-27)42(28-9-5-3-6-10-28)29-11-7-4-8-12-29;1-35-23-37-31-17-24-16-30(34,20-31)21-32(18-24,22-31)38-29(33)19-36-25-12-14-28(15-13-25)39(26-8-4-2-5-9-26)27-10-6-3-7-11-27/h7-20,28H,21-27H2,1-6H3;4-17,26-27H,18-25H2,1-3H3;4-17,25-26H,18-24H2,1-3H3;3-16,26H,17-25H2,1-2H3;2-15,24,34H,16-23H2,1H3/q5*+1
InChIKeyLKXQCGGLZHXYPM-UHFFFAOYSA-N
MW3032.86 g/mol
LogP36.25
Rot. Bonds49

About [4-[2-[[3,5-bis(methoxymethoxy)-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[[3-hydroxy-5-(methoxymethoxy)-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[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

[4-[2-[[3,5-bis(methoxymethoxy)-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[[3-hydroxy-5-(methoxymethoxy)-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[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 (PubChem CID 159381141) has the molecular formula C177H201O34S5+5 and a molecular weight of 3032.86 g/mol. Its IUPAC name is [4-[2-[[3,5-bis(methoxymethoxy)-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[[3-hydroxy-5-(methoxymethoxy)-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[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.

Molecular Properties

Compound Name[4-[2-[[3,5-bis(methoxymethoxy)-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[[3-hydroxy-5-(methoxymethoxy)-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[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
PubChem CID159381141
Molecular FormulaC177H201O34S5+5
Molecular Weight3032.86 g/mol
Exact Mass3030.26
IUPAC Name[4-[2-[[3,5-bis(methoxymethoxy)-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[[3-hydroxy-5-(methoxymethoxy)-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[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
SMILESCC(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.COCOC12CC3CC(O)(C1)CC(OC(=O)COc1ccc([S+](c4ccccc4)c4ccccc4)cc1)(C3)C2.COCOC12CC3CC(OCOC)(C1)CC(OC(=O)COc1ccc([S+](c4ccccc4)c4ccccc4)cc1)(C3)C2
InChIInChI=1S/C40H47O9S.C36H41O6S.C35H39O6S.C34H39O7S.C32H35O6S/c1-36(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;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;1-36-24-39-32-17-26-18-33(21-32,40-25-37-2)23-34(19-26,22-32)41-31(35)20-38-27-13-15-30(16-14-27)42(28-9-5-3-6-10-28)29-11-7-4-8-12-29;1-35-23-37-31-17-24-16-30(34,20-31)21-32(18-24,22-31)38-29(33)19-36-25-12-14-28(15-13-25)39(26-8-4-2-5-9-26)27-10-6-3-7-11-27/h7-20,28H,21-27H2,1-6H3;4-17,26-27H,18-25H2,1-3H3;4-17,25-26H,18-24H2,1-3H3;3-16,26H,17-25H2,1-2H3;2-15,24,34H,16-23H2,1H3/q5*+1
InChIKeyLKXQCGGLZHXYPM-UHFFFAOYSA-N
XLogP36.25
TPSA395.38 Ų
H-Bond Donors1
H-Bond Acceptors34
Rotatable Bonds49
Heavy Atoms216
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003032.86
LogP ≤ 536.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [4-[2-[[3,5-bis(methoxymethoxy)-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[[3-hydroxy-5-(methoxymethoxy)-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[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 with MolForge

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Related Compounds

[4-[2-[[3-(methoxymethoxy)-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium
CID 59602076
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
[4-[2-[[3-[2-(2-methylprop-2-enoyloxy)propan-2-yl]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium
CID 58491431
bis([4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium);ethane;(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 158580997
[4-[2-(1-adamantyloxy)-2-oxoethoxy]phenyl]-diphenylsulfanium
CID 140821766
(3-hydroxy-1-adamantyl) 2-(4-acetylphenoxy)acetate
CID 163756786
bis[4-[(2-methylpropan-2-yl)oxycarbonyloxymethoxy]phenyl]-phenylsulfanium
CID 59503276
bis[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-phenylsulfanium
CID 18945723
[4-(2-oxo-2-spiro[1,3-dithiolane-2,4'-adamantane]-1'-yloxyethoxy)phenyl]-diphenylsulfanium
CID 58108100
[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl] 2-methylbutanoate
CID 58975849
1-adamantylmethyl 2,2-difluoropropanoate;bis(4-tert-butylphenyl)-phenylsulfanium;(4-tert-butylphenyl)-diphenylsulfanium;(3-hydroxy-1-adamantyl) 2,2-difluoropropanoate;tris((3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate);bis((4-oxo-1-adamantyl) 2,2-difluoropropanoate);tris(triphenylsulfanium);bis(tris(4-methylphenyl)sulfanium)
CID 159720488
[4-[2-[2-(2,2-dimethylbutanoyloxy)acetyl]oxyacetyl]oxyphenyl]-diphenylsulfanium;[4-[[3-(2,2-dimethylbutanoyloxy)-1-adamantyl]oxy]phenyl]-diphenylsulfanium
CID 158725266

Frequently Asked Questions

What is the IUPAC name of [4-[2-[[3,5-bis(methoxymethoxy)-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[[3-hydroxy-5-(methoxymethoxy)-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[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?
The IUPAC name of [4-[2-[[3,5-bis(methoxymethoxy)-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[[3-hydroxy-5-(methoxymethoxy)-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[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 (CID 159381141) is [4-[2-[[3,5-bis(methoxymethoxy)-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[[3-hydroxy-5-(methoxymethoxy)-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[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.
What is the SMILES notation for [4-[2-[[3,5-bis(methoxymethoxy)-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[[3-hydroxy-5-(methoxymethoxy)-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[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?
The canonical SMILES for [4-[2-[[3,5-bis(methoxymethoxy)-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[[3-hydroxy-5-(methoxymethoxy)-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[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 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(OC(=O)COc4ccc([S+](c5ccccc5)c5ccccc5)cc4)(C1)CC(OC(=O)OC(C)(C)C)(C3)C2.COCOC12CC3CC(O)(C1)CC(OC(=O)COc1ccc([S+](c4ccccc4)c4ccccc4)cc1)(C3)C2.COCOC12CC3CC(OCOC)(C1)CC(OC(=O)COc1ccc([S+](c4ccccc4)c4ccccc4)cc1)(C3)C2.
What is the InChIKey of [4-[2-[[3,5-bis(methoxymethoxy)-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[[3-hydroxy-5-(methoxymethoxy)-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[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?
The InChIKey is LKXQCGGLZHXYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H47O9S.C36H41O6S.C35H39O6S.C34H39O7S.C32H35O6S/c1-36(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;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;1-36-24-39-32-17-26-18-33(21-32,40-25-37-2)23-34(19-26,22-32)41-31(35)20-38-27-13-15-30(16-14-27)42(28-9-5-3-6-10-28)29-11-7-4-8-12-29;1-35-23-37-31-17-24-16-30(34,20-31)21-32(18-24,22-31)38-29(33)19-36-25-12-14-28(15-13-25)39(26-8-4-2-5-9-26)27-10-6-3-7-11-27/h7-20,28H,21-27H2,1-6H3;4-17,26-27H,18-25H2,1-3H3;4-17,25-26H,18-24H2,1-3H3;3-16,26H,17-25H2,1-2H3;2-15,24,34H,16-23H2,1H3/q5*+1.
What are the key properties of [4-[2-[[3,5-bis(methoxymethoxy)-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[[3-hydroxy-5-(methoxymethoxy)-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[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?
[4-[2-[[3,5-bis(methoxymethoxy)-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[[3-hydroxy-5-(methoxymethoxy)-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[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 has a molecular weight of 3032.86 g/mol, XLogP of 36.25, 49 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[[3,5-bis(methoxymethoxy)-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[[3,5-bis[(2-methylpropan-2-yl)oxycarbonyloxy]-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-[[3-hydroxy-5-(methoxymethoxy)-1-adamantyl]oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;[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 is sourced from PubChem (CID 159381141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).