2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(4-butan-2-ylphenyl) 2-hydroxypropanoate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,5-dimethoxy-3-methyl-2-(4-octoxyphenyl)benzene;1-hydroxypropan-2-yl 2-methylbutanoate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[1,1,3,3,3-pentafluoro-2-(2-methylbutanoyloxy)propyl]sulfonyl-(trifluoromethylsulfonyl)azanide

C117H160F14NO28S5- — CID 158679667

IUPAC2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(4-butan-2-ylphenyl) 2-hydroxypropanoate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,5-dimethoxy-3-methyl-2-(4-octoxyphenyl)benzene;1-hydroxypropan-2-yl 2-methylbutanoate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[1,1,3,3,3-pentafluoro-2-(2-methylbutanoyloxy)propyl]sulfonyl-(trifluoromethylsulfonyl)azanide
SMILESCCC(C)(C)C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)OCC(=O)OC(C)(C)C.CCC(C)C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.CCC(C)C(=O)OC(C)CO.CCC(C)c1ccc(OC(=O)C(C)O)cc1.CCC(C)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.CCCCCCCCOc1ccc(-c2c(C)cc(OC)cc2OC)cc1.OCCc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C23H32O3.C20H17OS.C19H32O2.C13H14F6O6S2.C13H18O3.C12H22O4.C9H10F8NO6S2.C8H16O3/c1-5-6-7-8-9-10-15-26-20-13-11-19(12-14-20)23-18(2)16-21(24-3)17-22(23)25-4;21-14-13-15-9-11-16(12-10-15)22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22;1-6-17(2,3)16(20)21-18(4,5)19-10-13-7-14(11-19)9-15(8-13)12-19;1-3-8(2)9-4-6-10(7-5-9)25-27(23,24)13(18,19)11(14,15)12(16,17)26(20,21)22;1-4-9(2)11-5-7-12(8-6-11)16-13(15)10(3)14;1-7-12(5,6)10(14)15-8-9(13)16-11(2,3)4;1-3-4(2)5(19)24-6(7(10,11)12)8(13,14)25(20,21)18-26(22,23)9(15,16)17;1-4-6(2)8(10)11-7(3)5-9/h11-14,16-17H,5-10,15H2,1-4H3;1-12,21H,13-14H2;13-15H,6-12H2,1-5H3;4-8H,3H2,1-2H3,(H,20,21,22);5-10,14H,4H2,1-3H3;7-8H2,1-6H3;4,6H,3H2,1-2H3;6-7,9H,4-5H2,1-3H3/q;+1;;;;;-1;/p-1
InChIKeyIEYOCXKGKAAOFV-UHFFFAOYSA-M
MW2454.85 g/mol
LogP28.32
Rot. Bonds45

About 2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(4-butan-2-ylphenyl) 2-hydroxypropanoate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,5-dimethoxy-3-methyl-2-(4-octoxyphenyl)benzene;1-hydroxypropan-2-yl 2-methylbutanoate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[1,1,3,3,3-pentafluoro-2-(2-methylbutanoyloxy)propyl]sulfonyl-(trifluoromethylsulfonyl)azanide

2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(4-butan-2-ylphenyl) 2-hydroxypropanoate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,5-dimethoxy-3-methyl-2-(4-octoxyphenyl)benzene;1-hydroxypropan-2-yl 2-methylbutanoate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[1,1,3,3,3-pentafluoro-2-(2-methylbutanoyloxy)propyl]sulfonyl-(trifluoromethylsulfonyl)azanide (PubChem CID 158679667) has the molecular formula C117H160F14NO28S5- and a molecular weight of 2454.85 g/mol. Its IUPAC name is 2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(4-butan-2-ylphenyl) 2-hydroxypropanoate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,5-dimethoxy-3-methyl-2-(4-octoxyphenyl)benzene;1-hydroxypropan-2-yl 2-methylbutanoate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[1,1,3,3,3-pentafluoro-2-(2-methylbutanoyloxy)propyl]sulfonyl-(trifluoromethylsulfonyl)azanide.

Molecular Properties

Compound Name2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(4-butan-2-ylphenyl) 2-hydroxypropanoate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,5-dimethoxy-3-methyl-2-(4-octoxyphenyl)benzene;1-hydroxypropan-2-yl 2-methylbutanoate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[1,1,3,3,3-pentafluoro-2-(2-methylbutanoyloxy)propyl]sulfonyl-(trifluoromethylsulfonyl)azanide
PubChem CID158679667
Molecular FormulaC117H160F14NO28S5-
Molecular Weight2454.85 g/mol
Exact Mass2452.95
IUPAC Name2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(4-butan-2-ylphenyl) 2-hydroxypropanoate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,5-dimethoxy-3-methyl-2-(4-octoxyphenyl)benzene;1-hydroxypropan-2-yl 2-methylbutanoate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[1,1,3,3,3-pentafluoro-2-(2-methylbutanoyloxy)propyl]sulfonyl-(trifluoromethylsulfonyl)azanide
SMILESCCC(C)(C)C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)OCC(=O)OC(C)(C)C.CCC(C)C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.CCC(C)C(=O)OC(C)CO.CCC(C)c1ccc(OC(=O)C(C)O)cc1.CCC(C)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.CCCCCCCCOc1ccc(-c2c(C)cc(OC)cc2OC)cc1.OCCc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C23H32O3.C20H17OS.C19H32O2.C13H14F6O6S2.C13H18O3.C12H22O4.C9H10F8NO6S2.C8H16O3/c1-5-6-7-8-9-10-15-26-20-13-11-19(12-14-20)23-18(2)16-21(24-3)17-22(23)25-4;21-14-13-15-9-11-16(12-10-15)22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22;1-6-17(2,3)16(20)21-18(4,5)19-10-13-7-14(11-19)9-15(8-13)12-19;1-3-8(2)9-4-6-10(7-5-9)25-27(23,24)13(18,19)11(14,15)12(16,17)26(20,21)22;1-4-9(2)11-5-7-12(8-6-11)16-13(15)10(3)14;1-7-12(5,6)10(14)15-8-9(13)16-11(2,3)4;1-3-4(2)5(19)24-6(7(10,11)12)8(13,14)25(20,21)18-26(22,23)9(15,16)17;1-4-6(2)8(10)11-7(3)5-9/h11-14,16-17H,5-10,15H2,1-4H3;1-12,21H,13-14H2;13-15H,6-12H2,1-5H3;4-8H,3H2,1-2H3,(H,20,21,22);5-10,14H,4H2,1-3H3;7-8H2,1-6H3;4,6H,3H2,1-2H3;6-7,9H,4-5H2,1-3H3/q;+1;;;;;-1;/p-1
InChIKeyIEYOCXKGKAAOFV-UHFFFAOYSA-M
XLogP28.32
TPSA429.13 Ų
H-Bond Donors3
H-Bond Acceptors28
Rotatable Bonds45
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002454.85
LogP ≤ 528.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(4-butan-2-ylphenyl) 2-hydroxypropanoate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,5-dimethoxy-3-methyl-2-(4-octoxyphenyl)benzene;1-hydroxypropan-2-yl 2-methylbutanoate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[1,1,3,3,3-pentafluoro-2-(2-methylbutanoyloxy)propyl]sulfonyl-(trifluoromethylsulfonyl)azanide with MolForge

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Related Compounds

Butan-2-ylbenzene;bis(4-butan-2-ylphenol);bis(2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol);bis(2-[2-(2,2-dimethylbutanoyloxy)ethoxy]-1,1-difluoro-2-oxoethanesulfonate);methane;1-(4-methoxyphenyl)ethyl 2,2-dimethylbutanoate;1-(4-methylphenyl)ethyl 2,2-dimethylbutanoate;1-phenylethyl 2,2-dimethylbutanoate
CID 157068801
Bis([3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);tert-butyl 2,2-dimethylbutanoate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;phenyl 2-(hydroxymethyl)-2-methylbutanoate;triphenylsulfanium
CID 157119134
1-(1-Benzhydryloxy-2-methyl-2-phenylpropoxy)-4-butan-2-ylbenzene;bis(4-butan-2-ylphenol);1-[[1-(4-butan-2-ylphenoxy)-2,2-diethylbutoxy]methyl]adamantane;5-[2-(4-butan-2-ylphenoxy)-2-oxoethoxy]naphthalene-1-sulfonate;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;5-(4-cyclohexylphenyl)dibenzothiophen-5-ium;triphenylsulfanium
CID 157128372
Tris(4-butan-2-ylphenol);2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;bis(2-[2-(2,2-dimethylbutanoyloxy)ethoxy]-1,1-difluoro-2-oxoethanesulfonate);3-[4-(2,2-dimethylbutanoyloxy)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1-(4-methoxyphenyl)ethyl 2-methylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;1-(4-propan-2-ylphenyl)ethyl 2,2-dimethylbutanoate;bis(triphenylsulfanium)
CID 157482216
4-Butan-2-ylphenol;tert-butyl 2,2-dimethylbutanoate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;2-[2-(2,2-dimethylbutanoyloxy)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;methane;1-(4-methoxyphenyl)ethyl 2,2-dimethylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;4-propan-2-ylphenol
CID 157773813
Bis(4-butan-2-ylphenol);[3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-(4-methoxyphenyl)ethyl 2,2-dimethylbutanoate;(4-phenylphenyl) 2,2-dimethylbutanoate;1,2,3,4-tetrahydronaphthalen-1-yl 2,2-dimethylbutanoate;triphenylsulfanium
CID 157847954
2-[4-Bis(4-tert-butylphenyl)sulfoniophenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(6-butan-2-ylnaphthalen-2-yl) 2,2,2-trifluoroacetate;1-(3,3-dimethylpent-1-en-2-yloxy)-1-propan-2-ylcyclopentane;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl] 2,2-dimethylbutanoate;triphenylsulfanium
CID 158338068
2-(2,2-Dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate;phenyl-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)phenyl]-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;[4-[2-[2-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]oxyacetyl]oxypropan-2-yl]cyclohexyl] 2,2-dimethylbutanoate
CID 158393025
[2-[2-(6-Butan-2-ylnaphthalen-2-yl)oxy-2-oxoethoxy]-1,1,3,3,3-pentafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)oxane;[3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;tert-butyl 2,2-dimethylbutanoate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;(3,5-dihydroxy-1-adamantyl) 2,2-dimethylbutanoate;methyl 2-(hydroxymethyl)-2-methylbutanoate;phenyl 2-(hydroxymethyl)-2-methylbutanoate
CID 158526727
Bis(4-butan-2-ylphenol);2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;3-[4-[2-(2,2-dimethylbutanoyloxy)ethyl]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;4-[3-(2,2-dimethylbutanoyloxy)propoxy]-2,3,5,6-tetrafluorobenzenesulfonate;(4-hydroxyphenyl)-diphenylsulfanium;methane;1-phenylpropyl 2-methylbutanoate;1,2,3,4-tetrahydronaphthalen-1-yl 2,2-dimethylbutanoate
CID 158889369
2-[4-[(2,4-Dimethoxyphenyl)-hydroxymethyl]phenoxy]ethyl 2,2-dimethylbutanoate;2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(2-methyl-2-adamantyl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;5-phenyldibenzothiophen-5-ium
CID 159202412
4-Butan-2-ylbenzenesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;4-(2,2-dimethylbutanoyloxy)benzenesulfonate;[3-[4-[2-(2,2-dimethylbutanoyloxy)ethyl]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;4-[3-(2,2-dimethylbutanoyloxy)propoxy]benzenesulfonate;methane;(4-methylphenyl)-diphenylsulfanium;triphenylsulfanium
CID 159346810

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(4-butan-2-ylphenyl) 2-hydroxypropanoate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,5-dimethoxy-3-methyl-2-(4-octoxyphenyl)benzene;1-hydroxypropan-2-yl 2-methylbutanoate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[1,1,3,3,3-pentafluoro-2-(2-methylbutanoyloxy)propyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
The IUPAC name of 2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(4-butan-2-ylphenyl) 2-hydroxypropanoate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,5-dimethoxy-3-methyl-2-(4-octoxyphenyl)benzene;1-hydroxypropan-2-yl 2-methylbutanoate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[1,1,3,3,3-pentafluoro-2-(2-methylbutanoyloxy)propyl]sulfonyl-(trifluoromethylsulfonyl)azanide (CID 158679667) is 2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(4-butan-2-ylphenyl) 2-hydroxypropanoate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,5-dimethoxy-3-methyl-2-(4-octoxyphenyl)benzene;1-hydroxypropan-2-yl 2-methylbutanoate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[1,1,3,3,3-pentafluoro-2-(2-methylbutanoyloxy)propyl]sulfonyl-(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for 2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(4-butan-2-ylphenyl) 2-hydroxypropanoate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,5-dimethoxy-3-methyl-2-(4-octoxyphenyl)benzene;1-hydroxypropan-2-yl 2-methylbutanoate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[1,1,3,3,3-pentafluoro-2-(2-methylbutanoyloxy)propyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
The canonical SMILES for 2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(4-butan-2-ylphenyl) 2-hydroxypropanoate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,5-dimethoxy-3-methyl-2-(4-octoxyphenyl)benzene;1-hydroxypropan-2-yl 2-methylbutanoate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[1,1,3,3,3-pentafluoro-2-(2-methylbutanoyloxy)propyl]sulfonyl-(trifluoromethylsulfonyl)azanide is CCC(C)(C)C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.CCC(C)(C)C(=O)OCC(=O)OC(C)(C)C.CCC(C)C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.CCC(C)C(=O)OC(C)CO.CCC(C)c1ccc(OC(=O)C(C)O)cc1.CCC(C)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.CCCCCCCCOc1ccc(-c2c(C)cc(OC)cc2OC)cc1.OCCc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(4-butan-2-ylphenyl) 2-hydroxypropanoate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,5-dimethoxy-3-methyl-2-(4-octoxyphenyl)benzene;1-hydroxypropan-2-yl 2-methylbutanoate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[1,1,3,3,3-pentafluoro-2-(2-methylbutanoyloxy)propyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
The InChIKey is IEYOCXKGKAAOFV-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H32O3.C20H17OS.C19H32O2.C13H14F6O6S2.C13H18O3.C12H22O4.C9H10F8NO6S2.C8H16O3/c1-5-6-7-8-9-10-15-26-20-13-11-19(12-14-20)23-18(2)16-21(24-3)17-22(23)25-4;21-14-13-15-9-11-16(12-10-15)22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22;1-6-17(2,3)16(20)21-18(4,5)19-10-13-7-14(11-19)9-15(8-13)12-19;1-3-8(2)9-4-6-10(7-5-9)25-27(23,24)13(18,19)11(14,15)12(16,17)26(20,21)22;1-4-9(2)11-5-7-12(8-6-11)16-13(15)10(3)14;1-7-12(5,6)10(14)15-8-9(13)16-11(2,3)4;1-3-4(2)5(19)24-6(7(10,11)12)8(13,14)25(20,21)18-26(22,23)9(15,16)17;1-4-6(2)8(10)11-7(3)5-9/h11-14,16-17H,5-10,15H2,1-4H3;1-12,21H,13-14H2;13-15H,6-12H2,1-5H3;4-8H,3H2,1-2H3,(H,20,21,22);5-10,14H,4H2,1-3H3;7-8H2,1-6H3;4,6H,3H2,1-2H3;6-7,9H,4-5H2,1-3H3/q;+1;;;;;-1;/p-1.
What are the key properties of 2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(4-butan-2-ylphenyl) 2-hydroxypropanoate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,5-dimethoxy-3-methyl-2-(4-octoxyphenyl)benzene;1-hydroxypropan-2-yl 2-methylbutanoate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[1,1,3,3,3-pentafluoro-2-(2-methylbutanoyloxy)propyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(4-butan-2-ylphenyl) 2-hydroxypropanoate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,5-dimethoxy-3-methyl-2-(4-octoxyphenyl)benzene;1-hydroxypropan-2-yl 2-methylbutanoate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[1,1,3,3,3-pentafluoro-2-(2-methylbutanoyloxy)propyl]sulfonyl-(trifluoromethylsulfonyl)azanide has a molecular weight of 2454.85 g/mol, XLogP of 28.32, 45 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)propan-2-yl 2,2-dimethylbutanoate;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(4-butan-2-ylphenyl) 2-hydroxypropanoate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,5-dimethoxy-3-methyl-2-(4-octoxyphenyl)benzene;1-hydroxypropan-2-yl 2-methylbutanoate;[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[1,1,3,3,3-pentafluoro-2-(2-methylbutanoyloxy)propyl]sulfonyl-(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 158679667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).