6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;tert-butyl 2,2-dimethylbutanoate;1-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanone;2-[2-(2,2-dimethylbutanoyloxy)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;5-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluoropentane-1-sulfonate;(2-methyl-2-adamantyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;11-(4-phenoxyphenyl)benzo[c][2,1,5]benzoxadithiepin-11-ium 6,6-dioxide

C127H156F6O25S5 — CID 159160082

IUPAC6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;tert-butyl 2,2-dimethylbutanoate;1-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanone;2-[2-(2,2-dimethylbutanoyloxy)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;5-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluoropentane-1-sulfonate;(2-methyl-2-adamantyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;11-(4-phenoxyphenyl)benzo[c][2,1,5]benzoxadithiepin-11-ium 6,6-dioxide
SMILESCC(=O)c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.CCC(C)(C)C(=O)OC(C)(C)C.CCC(C)(C)C(=O)OC12CC3CC(C1)CC(C(=O)OC1(C)C4CC5CC(C4)CC1C5)(C3)C2.CCC(C)(C)C(=O)OCCCC(F)(F)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OCCOC(=O)C(F)(F)S(=O)(=O)[O-].CCC(C)c1ccc(O)cc1.CCC(C)c1ccc2cc(O)ccc2c1.O=S1(=O)Oc2ccccc2[S+](c2ccc(Oc3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C28H42O4.C24H17O4S2.C20H15OS.C14H16O.C11H18F4O5S.C10H16F2O7S.C10H20O2.C10H14O/c1-5-25(2,3)23(29)32-28-14-19-7-20(15-28)13-27(12-19,16-28)24(30)31-26(4)21-8-17-6-18(10-21)11-22(26)9-17;25-30(26)24-13-7-6-12-23(24)29(22-11-5-4-10-21(22)28-30)20-16-14-19(15-17-20)27-18-8-2-1-3-9-18;1-14(21)15-10-12-16(13-11-15)22-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22;1-3-10(2)11-4-5-13-9-14(15)7-6-12(13)8-11;1-4-9(2,3)8(16)20-7-5-6-10(12,13)11(14,15)21(17,18)19;1-4-9(2,3)7(13)18-5-6-19-8(14)10(11,12)20(15,16)17;1-7-10(5,6)8(11)12-9(2,3)4;1-3-8(2)9-4-6-10(11)7-5-9/h17-22H,5-16H2,1-4H3;1-17H;2-13H,1H3;4-10,15H,3H2,1-2H3;4-7H2,1-3H3,(H,17,18,19);4-6H2,1-3H3,(H,15,16,17);7H2,1-6H3;4-8,11H,3H2,1-2H3/q;2*+1;;;;;/p-2
InChIKeyKKJLKTSJDLMSEM-UHFFFAOYSA-L
MW2356.94 g/mol
LogP30.55
Rot. Bonds31

About 6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;tert-butyl 2,2-dimethylbutanoate;1-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanone;2-[2-(2,2-dimethylbutanoyloxy)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;5-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluoropentane-1-sulfonate;(2-methyl-2-adamantyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;11-(4-phenoxyphenyl)benzo[c][2,1,5]benzoxadithiepin-11-ium 6,6-dioxide

6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;tert-butyl 2,2-dimethylbutanoate;1-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanone;2-[2-(2,2-dimethylbutanoyloxy)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;5-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluoropentane-1-sulfonate;(2-methyl-2-adamantyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;11-(4-phenoxyphenyl)benzo[c][2,1,5]benzoxadithiepin-11-ium 6,6-dioxide (PubChem CID 159160082) has the molecular formula C127H156F6O25S5 and a molecular weight of 2356.94 g/mol. Its IUPAC name is 6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;tert-butyl 2,2-dimethylbutanoate;1-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanone;2-[2-(2,2-dimethylbutanoyloxy)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;5-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluoropentane-1-sulfonate;(2-methyl-2-adamantyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;11-(4-phenoxyphenyl)benzo[c][2,1,5]benzoxadithiepin-11-ium 6,6-dioxide.

Molecular Properties

Compound Name6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;tert-butyl 2,2-dimethylbutanoate;1-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanone;2-[2-(2,2-dimethylbutanoyloxy)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;5-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluoropentane-1-sulfonate;(2-methyl-2-adamantyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;11-(4-phenoxyphenyl)benzo[c][2,1,5]benzoxadithiepin-11-ium 6,6-dioxide
PubChem CID159160082
Molecular FormulaC127H156F6O25S5
Molecular Weight2356.94 g/mol
Exact Mass2354.94
IUPAC Name6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;tert-butyl 2,2-dimethylbutanoate;1-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanone;2-[2-(2,2-dimethylbutanoyloxy)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;5-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluoropentane-1-sulfonate;(2-methyl-2-adamantyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;11-(4-phenoxyphenyl)benzo[c][2,1,5]benzoxadithiepin-11-ium 6,6-dioxide
SMILESCC(=O)c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.CCC(C)(C)C(=O)OC(C)(C)C.CCC(C)(C)C(=O)OC12CC3CC(C1)CC(C(=O)OC1(C)C4CC5CC(C4)CC1C5)(C3)C2.CCC(C)(C)C(=O)OCCCC(F)(F)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OCCOC(=O)C(F)(F)S(=O)(=O)[O-].CCC(C)c1ccc(O)cc1.CCC(C)c1ccc2cc(O)ccc2c1.O=S1(=O)Oc2ccccc2[S+](c2ccc(Oc3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C28H42O4.C24H17O4S2.C20H15OS.C14H16O.C11H18F4O5S.C10H16F2O7S.C10H20O2.C10H14O/c1-5-25(2,3)23(29)32-28-14-19-7-20(15-28)13-27(12-19,16-28)24(30)31-26(4)21-8-17-6-18(10-21)11-22(26)9-17;25-30(26)24-13-7-6-12-23(24)29(22-11-5-4-10-21(22)28-30)20-16-14-19(15-17-20)27-18-8-2-1-3-9-18;1-14(21)15-10-12-16(13-11-15)22-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22;1-3-10(2)11-4-5-13-9-14(15)7-6-12(13)8-11;1-4-9(2,3)8(16)20-7-5-6-10(12,13)11(14,15)21(17,18)19;1-4-9(2,3)7(13)18-5-6-19-8(14)10(11,12)20(15,16)17;1-7-10(5,6)8(11)12-9(2,3)4;1-3-8(2)9-4-6-10(11)7-5-9/h17-22H,5-16H2,1-4H3;1-17H;2-13H,1H3;4-10,15H,3H2,1-2H3;4-7H2,1-3H3,(H,17,18,19);4-6H2,1-3H3,(H,15,16,17);7H2,1-6H3;4-8,11H,3H2,1-2H3/q;2*+1;;;;;/p-2
InChIKeyKKJLKTSJDLMSEM-UHFFFAOYSA-L
XLogP30.55
TPSA382.33 Ų
H-Bond Donors2
H-Bond Acceptors25
Rotatable Bonds31
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002356.94
LogP ≤ 530.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1025

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': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze 6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;tert-butyl 2,2-dimethylbutanoate;1-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanone;2-[2-(2,2-dimethylbutanoyloxy)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;5-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluoropentane-1-sulfonate;(2-methyl-2-adamantyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;11-(4-phenoxyphenyl)benzo[c][2,1,5]benzoxadithiepin-11-ium 6,6-dioxide with MolForge

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Related Compounds

2-Butan-2-ylanthracene-9,10-dione;4-butan-2-yl-2-fluoro-1-(1-methylcyclohexyl)oxybenzene;4-butan-2-ylphenol;2-[3-(2,2-dimethylbutanoyloxy)adamantane-1-carbonyl]oxy-3,3,3-trifluoropropane-1-sulfonate;5-phenyldibenzothiophen-5-ium
CID 157295600
1-Anthracen-2-ylethyl 2,2-dimethylbutanoate;bis(4-butan-2-ylphenol);2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1,1-difluoro-2-[2-[4-(2-methylbutan-2-yl)benzoyl]oxyethoxy]-2-oxoethanesulfonate;2-(2,2-dimethylbutanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;methane;methyl 5-butan-2-yl-2-hydroxybenzoate;1-(4-propan-2-ylphenyl)ethyl 2,2-dimethylbutanoate;triphenylsulfanium
CID 157407598
Bis(2-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate);1-butan-2-yl-4-methylbenzene;4-butan-2-ylphenol;[4-[2-(2,2-dimethylbutanoyloxy)ethoxy]phenyl]-diphenylsulfanium;1,2-dimethyl-1,2-dihydroacenaphthylene;methane;[4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]-diphenylsulfanium
CID 157496353
(4-Hydroxyphenyl)-diphenylsulfanium;5-phenyldibenzothiophen-5-ium;10-phenylphenoxathiin-10-ium;tris(3,3,3-trifluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxypropane-1-sulfonate)
CID 157529234
6-ethenylnaphthalen-2-ol;4-ethenylphenol;(4-ethenylphenyl) benzoate;1H-indene;(4-methyl-2-oxooxolan-3-yl) 2-methylprop-2-enoate;3-methylpentan-3-yl 2-methylprop-2-enoate;1,1,3,3,3-pentafluoro-2-prop-2-enoyloxypropane-1-sulfonate;triphenylsulfanium
CID 157758516
2-(1-Adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-(4-cyclohexylphenyl)-3,3-dimethyl-2-(thiolan-1-ium-1-yl)butan-1-one;bis(2,4,6-tricyclohexylbenzenesulfonate);triphenylsulfanium
CID 157983872
4-Butan-2-ylphenol;2-(4-butan-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol;4-[(4-butan-2-ylphenyl)methoxy]-2,3,5,6-tetrafluorobenzenesulfonate;2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;1-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanone;5-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluoropentane-1-sulfonate;(2-methyl-2-adamantyl) 2,2-dimethylbutanoate;(1-methylcyclohexyl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate
CID 158359337
2-(Adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1,1-difluoro-2-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1,3,3,3-pentafluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium)
CID 158503286
CID 158817773
CID 158817773
1-Anthracen-2-ylethyl 2,2-dimethylbutanoate;bis(4-butan-2-ylphenol);2-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanol;2-[2-(2,2-dimethylbutanoyloxy)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;2-(2,2-dimethylbutanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;methane;methyl 5-butan-2-yl-2-hydroxybenzoate;1-(4-propan-2-ylphenyl)ethyl 2,2-dimethylbutanoate;triphenylsulfanium
CID 159013622
[4-(4-Butan-2-ylbenzoyl)oxyphenyl]-diphenylsulfanium;tris(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;4,4,5,5,6,6-hexafluoro-1lambda6,3lambda6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;(4-hydroxyphenyl)-diphenylsulfanium;(3-oxo-1-phenylbutyl) 2,2-dimethylbutanoate;1-phenylpropyl 2-methylbutanoate;1,2,3,4-tetrahydronaphthalen-1-yl 2,2-dimethylbutanoate
CID 159086830
[4-(4-Butan-2-ylbenzoyl)oxyphenyl]-diphenylsulfanium;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;4,4,5,5,6,6-hexafluoro-1lambda6,3lambda6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;methane;(3-oxo-1-phenylbutyl) 2,2-dimethylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;4-propan-2-ylphenol
CID 159231904

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;tert-butyl 2,2-dimethylbutanoate;1-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanone;2-[2-(2,2-dimethylbutanoyloxy)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;5-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluoropentane-1-sulfonate;(2-methyl-2-adamantyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;11-(4-phenoxyphenyl)benzo[c][2,1,5]benzoxadithiepin-11-ium 6,6-dioxide?
The IUPAC name of 6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;tert-butyl 2,2-dimethylbutanoate;1-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanone;2-[2-(2,2-dimethylbutanoyloxy)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;5-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluoropentane-1-sulfonate;(2-methyl-2-adamantyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;11-(4-phenoxyphenyl)benzo[c][2,1,5]benzoxadithiepin-11-ium 6,6-dioxide (CID 159160082) is 6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;tert-butyl 2,2-dimethylbutanoate;1-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanone;2-[2-(2,2-dimethylbutanoyloxy)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;5-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluoropentane-1-sulfonate;(2-methyl-2-adamantyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;11-(4-phenoxyphenyl)benzo[c][2,1,5]benzoxadithiepin-11-ium 6,6-dioxide.
What is the SMILES notation for 6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;tert-butyl 2,2-dimethylbutanoate;1-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanone;2-[2-(2,2-dimethylbutanoyloxy)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;5-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluoropentane-1-sulfonate;(2-methyl-2-adamantyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;11-(4-phenoxyphenyl)benzo[c][2,1,5]benzoxadithiepin-11-ium 6,6-dioxide?
The canonical SMILES for 6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;tert-butyl 2,2-dimethylbutanoate;1-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanone;2-[2-(2,2-dimethylbutanoyloxy)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;5-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluoropentane-1-sulfonate;(2-methyl-2-adamantyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;11-(4-phenoxyphenyl)benzo[c][2,1,5]benzoxadithiepin-11-ium 6,6-dioxide is CC(=O)c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.CCC(C)(C)C(=O)OC(C)(C)C.CCC(C)(C)C(=O)OC12CC3CC(C1)CC(C(=O)OC1(C)C4CC5CC(C4)CC1C5)(C3)C2.CCC(C)(C)C(=O)OCCCC(F)(F)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OCCOC(=O)C(F)(F)S(=O)(=O)[O-].CCC(C)c1ccc(O)cc1.CCC(C)c1ccc2cc(O)ccc2c1.O=S1(=O)Oc2ccccc2[S+](c2ccc(Oc3ccccc3)cc2)c2ccccc21.
What is the InChIKey of 6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;tert-butyl 2,2-dimethylbutanoate;1-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanone;2-[2-(2,2-dimethylbutanoyloxy)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;5-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluoropentane-1-sulfonate;(2-methyl-2-adamantyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;11-(4-phenoxyphenyl)benzo[c][2,1,5]benzoxadithiepin-11-ium 6,6-dioxide?
The InChIKey is KKJLKTSJDLMSEM-UHFFFAOYSA-L. The full InChI is InChI=1S/C28H42O4.C24H17O4S2.C20H15OS.C14H16O.C11H18F4O5S.C10H16F2O7S.C10H20O2.C10H14O/c1-5-25(2,3)23(29)32-28-14-19-7-20(15-28)13-27(12-19,16-28)24(30)31-26(4)21-8-17-6-18(10-21)11-22(26)9-17;25-30(26)24-13-7-6-12-23(24)29(22-11-5-4-10-21(22)28-30)20-16-14-19(15-17-20)27-18-8-2-1-3-9-18;1-14(21)15-10-12-16(13-11-15)22-19-8-4-2-6-17(19)18-7-3-5-9-20(18)22;1-3-10(2)11-4-5-13-9-14(15)7-6-12(13)8-11;1-4-9(2,3)8(16)20-7-5-6-10(12,13)11(14,15)21(17,18)19;1-4-9(2,3)7(13)18-5-6-19-8(14)10(11,12)20(15,16)17;1-7-10(5,6)8(11)12-9(2,3)4;1-3-8(2)9-4-6-10(11)7-5-9/h17-22H,5-16H2,1-4H3;1-17H;2-13H,1H3;4-10,15H,3H2,1-2H3;4-7H2,1-3H3,(H,17,18,19);4-6H2,1-3H3,(H,15,16,17);7H2,1-6H3;4-8,11H,3H2,1-2H3/q;2*+1;;;;;/p-2.
What are the key properties of 6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;tert-butyl 2,2-dimethylbutanoate;1-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanone;2-[2-(2,2-dimethylbutanoyloxy)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;5-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluoropentane-1-sulfonate;(2-methyl-2-adamantyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;11-(4-phenoxyphenyl)benzo[c][2,1,5]benzoxadithiepin-11-ium 6,6-dioxide?
6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;tert-butyl 2,2-dimethylbutanoate;1-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanone;2-[2-(2,2-dimethylbutanoyloxy)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;5-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluoropentane-1-sulfonate;(2-methyl-2-adamantyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;11-(4-phenoxyphenyl)benzo[c][2,1,5]benzoxadithiepin-11-ium 6,6-dioxide has a molecular weight of 2356.94 g/mol, XLogP of 30.55, 31 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-ylnaphthalen-2-ol;4-butan-2-ylphenol;tert-butyl 2,2-dimethylbutanoate;1-(4-dibenzothiophen-5-ium-5-ylphenyl)ethanone;2-[2-(2,2-dimethylbutanoyloxy)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;5-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluoropentane-1-sulfonate;(2-methyl-2-adamantyl) 3-(2,2-dimethylbutanoyloxy)adamantane-1-carboxylate;11-(4-phenoxyphenyl)benzo[c][2,1,5]benzoxadithiepin-11-ium 6,6-dioxide is sourced from PubChem (CID 159160082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).