1-O-[2-(1-adamantyl)butan-2-yl] 3-O-phenyl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]propanedioate;3-(1-adamantyl)pentan-3-yl 2-methyl-2-(naphthalen-1-ylsulfonyloxymethyl)-3-oxo-3-phenylpropanoate;2-(1-adamantyl)propan-2-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate;2-(1-adamantyl)propan-2-yl 2-(octylsulfonyloxymethyl)-3-oxobicyclo[2.2.1]heptane-2-carboxylate;3-O-tert-butyl 1-O-ethyl 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyloxymethyl]-2-methylpropanedioate;3-cyclohexylpentan-3-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate;2-cyclohexylpropan-2-yl 1-(benzenesulfonyloxymethyl)-2-oxocyclohexane-1-carboxylate;2-cyclohexylpropan-2-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate

C212H288F6O50S8 — CID 160854099

IUPAC1-O-[2-(1-adamantyl)butan-2-yl] 3-O-phenyl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]propanedioate;3-(1-adamantyl)pentan-3-yl 2-methyl-2-(naphthalen-1-ylsulfonyloxymethyl)-3-oxo-3-phenylpropanoate;2-(1-adamantyl)propan-2-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate;2-(1-adamantyl)propan-2-yl 2-(octylsulfonyloxymethyl)-3-oxobicyclo[2.2.1]heptane-2-carboxylate;3-O-tert-butyl 1-O-ethyl 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyloxymethyl]-2-methylpropanedioate;3-cyclohexylpentan-3-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate;2-cyclohexylpropan-2-yl 1-(benzenesulfonyloxymethyl)-2-oxocyclohexane-1-carboxylate;2-cyclohexylpropan-2-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate
SMILESCC(=O)C(C)(COS(=O)(=O)c1ccc(C)cc1)C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.CC(=O)C(C)(COS(=O)(=O)c1ccc(C)cc1)C(=O)OC(C)(C)C1CCCCC1.CC(C)(OC(=O)C1(COS(=O)(=O)c2ccccc2)CCCCC1=O)C1CCCCC1.CCC(C)(OC(=O)C(C)(COS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccccc1)C12CC3CC(CC(C3)C1)C2.CCC(CC)(OC(=O)C(C)(COS(=O)(=O)c1ccc(C)cc1)C(C)=O)C1CCCCC1.CCC(CC)(OC(=O)C(C)(COS(=O)(=O)c1cccc2ccccc12)C(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2.CCCCCCCCS(=O)(=O)OCC1(C(=O)OC(C)(C)C23CC4CC(CC(C4)C2)C3)C(=O)C2CCC1C2.CCOC(=O)C(C)(COS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)OC(C)(C)C
InChIInChI=1S/C36H42O6S.C32H40O7S.C30H48O6S.C26H36O6S.C24H36O6S.C23H32O6S.C22H32O6S.C19H22F6O7S/c1-4-36(5-2,35-21-25-18-26(22-35)20-27(19-25)23-35)42-33(38)34(3,32(37)29-13-7-6-8-14-29)24-41-43(39,40)31-17-11-15-28-12-9-10-16-30(28)31;1-5-31(4,32-18-23-15-24(19-32)17-25(16-23)20-32)39-29(34)30(3,28(33)38-26-9-7-6-8-10-26)21-37-40(35,36)27-13-11-22(2)12-14-27;1-4-5-6-7-8-9-12-37(33,34)35-20-30(25-11-10-24(16-25)26(30)31)27(32)36-28(2,3)29-17-21-13-22(18-29)15-23(14-21)19-29;1-17-6-8-22(9-7-17)33(29,30)31-16-25(5,18(2)27)23(28)32-24(3,4)26-13-19-10-20(14-26)12-21(11-19)15-26;1-6-24(7-2,20-11-9-8-10-12-20)30-22(26)23(5,19(4)25)17-29-31(27,28)21-15-13-18(3)14-16-21;1-22(2,18-11-5-3-6-12-18)29-21(25)23(16-10-9-15-20(23)24)17-28-30(26,27)19-13-7-4-8-14-19;1-16-11-13-19(14-12-16)29(25,26)27-15-22(5,17(2)23)20(24)28-21(3,4)18-9-7-6-8-10-18;1-6-30-14(26)17(5,15(27)32-16(2,3)4)10-31-33(28,29)13-8-11(18(20,21)22)7-12(9-13)19(23,24)25/h6-17,25-27H,4-5,18-24H2,1-3H3;6-14,23-25H,5,15-21H2,1-4H3;21-25H,4-20H2,1-3H3;6-9,19-21H,10-16H2,1-5H3;13-16,20H,6-12,17H2,1-5H3;4,7-8,13-14,18H,3,5-6,9-12,15-17H2,1-2H3;11-14,18H,6-10,15H2,1-5H3;7-9H,6,10H2,1-5H3
InChIKeySJQIMITUNAXXLQ-UHFFFAOYSA-N
MW4007.11 g/mol
LogP42.98
Rot. Bonds74

About 1-O-[2-(1-adamantyl)butan-2-yl] 3-O-phenyl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]propanedioate;3-(1-adamantyl)pentan-3-yl 2-methyl-2-(naphthalen-1-ylsulfonyloxymethyl)-3-oxo-3-phenylpropanoate;2-(1-adamantyl)propan-2-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate;2-(1-adamantyl)propan-2-yl 2-(octylsulfonyloxymethyl)-3-oxobicyclo[2.2.1]heptane-2-carboxylate;3-O-tert-butyl 1-O-ethyl 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyloxymethyl]-2-methylpropanedioate;3-cyclohexylpentan-3-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate;2-cyclohexylpropan-2-yl 1-(benzenesulfonyloxymethyl)-2-oxocyclohexane-1-carboxylate;2-cyclohexylpropan-2-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate

1-O-[2-(1-adamantyl)butan-2-yl] 3-O-phenyl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]propanedioate;3-(1-adamantyl)pentan-3-yl 2-methyl-2-(naphthalen-1-ylsulfonyloxymethyl)-3-oxo-3-phenylpropanoate;2-(1-adamantyl)propan-2-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate;2-(1-adamantyl)propan-2-yl 2-(octylsulfonyloxymethyl)-3-oxobicyclo[2.2.1]heptane-2-carboxylate;3-O-tert-butyl 1-O-ethyl 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyloxymethyl]-2-methylpropanedioate;3-cyclohexylpentan-3-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate;2-cyclohexylpropan-2-yl 1-(benzenesulfonyloxymethyl)-2-oxocyclohexane-1-carboxylate;2-cyclohexylpropan-2-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate (PubChem CID 160854099) has the molecular formula C212H288F6O50S8 and a molecular weight of 4007.11 g/mol. Its IUPAC name is 1-O-[2-(1-adamantyl)butan-2-yl] 3-O-phenyl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]propanedioate;3-(1-adamantyl)pentan-3-yl 2-methyl-2-(naphthalen-1-ylsulfonyloxymethyl)-3-oxo-3-phenylpropanoate;2-(1-adamantyl)propan-2-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate;2-(1-adamantyl)propan-2-yl 2-(octylsulfonyloxymethyl)-3-oxobicyclo[2.2.1]heptane-2-carboxylate;3-O-tert-butyl 1-O-ethyl 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyloxymethyl]-2-methylpropanedioate;3-cyclohexylpentan-3-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate;2-cyclohexylpropan-2-yl 1-(benzenesulfonyloxymethyl)-2-oxocyclohexane-1-carboxylate;2-cyclohexylpropan-2-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate.

Molecular Properties

Compound Name1-O-[2-(1-adamantyl)butan-2-yl] 3-O-phenyl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]propanedioate;3-(1-adamantyl)pentan-3-yl 2-methyl-2-(naphthalen-1-ylsulfonyloxymethyl)-3-oxo-3-phenylpropanoate;2-(1-adamantyl)propan-2-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate;2-(1-adamantyl)propan-2-yl 2-(octylsulfonyloxymethyl)-3-oxobicyclo[2.2.1]heptane-2-carboxylate;3-O-tert-butyl 1-O-ethyl 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyloxymethyl]-2-methylpropanedioate;3-cyclohexylpentan-3-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate;2-cyclohexylpropan-2-yl 1-(benzenesulfonyloxymethyl)-2-oxocyclohexane-1-carboxylate;2-cyclohexylpropan-2-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate
PubChem CID160854099
Molecular FormulaC212H288F6O50S8
Molecular Weight4007.11 g/mol
Exact Mass4003.77
IUPAC Name1-O-[2-(1-adamantyl)butan-2-yl] 3-O-phenyl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]propanedioate;3-(1-adamantyl)pentan-3-yl 2-methyl-2-(naphthalen-1-ylsulfonyloxymethyl)-3-oxo-3-phenylpropanoate;2-(1-adamantyl)propan-2-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate;2-(1-adamantyl)propan-2-yl 2-(octylsulfonyloxymethyl)-3-oxobicyclo[2.2.1]heptane-2-carboxylate;3-O-tert-butyl 1-O-ethyl 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyloxymethyl]-2-methylpropanedioate;3-cyclohexylpentan-3-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate;2-cyclohexylpropan-2-yl 1-(benzenesulfonyloxymethyl)-2-oxocyclohexane-1-carboxylate;2-cyclohexylpropan-2-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate
SMILESCC(=O)C(C)(COS(=O)(=O)c1ccc(C)cc1)C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.CC(=O)C(C)(COS(=O)(=O)c1ccc(C)cc1)C(=O)OC(C)(C)C1CCCCC1.CC(C)(OC(=O)C1(COS(=O)(=O)c2ccccc2)CCCCC1=O)C1CCCCC1.CCC(C)(OC(=O)C(C)(COS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccccc1)C12CC3CC(CC(C3)C1)C2.CCC(CC)(OC(=O)C(C)(COS(=O)(=O)c1ccc(C)cc1)C(C)=O)C1CCCCC1.CCC(CC)(OC(=O)C(C)(COS(=O)(=O)c1cccc2ccccc12)C(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2.CCCCCCCCS(=O)(=O)OCC1(C(=O)OC(C)(C)C23CC4CC(CC(C4)C2)C3)C(=O)C2CCC1C2.CCOC(=O)C(C)(COS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)OC(C)(C)C
InChIInChI=1S/C36H42O6S.C32H40O7S.C30H48O6S.C26H36O6S.C24H36O6S.C23H32O6S.C22H32O6S.C19H22F6O7S/c1-4-36(5-2,35-21-25-18-26(22-35)20-27(19-25)23-35)42-33(38)34(3,32(37)29-13-7-6-8-14-29)24-41-43(39,40)31-17-11-15-28-12-9-10-16-30(28)31;1-5-31(4,32-18-23-15-24(19-32)17-25(16-23)20-32)39-29(34)30(3,28(33)38-26-9-7-6-8-10-26)21-37-40(35,36)27-13-11-22(2)12-14-27;1-4-5-6-7-8-9-12-37(33,34)35-20-30(25-11-10-24(16-25)26(30)31)27(32)36-28(2,3)29-17-21-13-22(18-29)15-23(14-21)19-29;1-17-6-8-22(9-7-17)33(29,30)31-16-25(5,18(2)27)23(28)32-24(3,4)26-13-19-10-20(14-26)12-21(11-19)15-26;1-6-24(7-2,20-11-9-8-10-12-20)30-22(26)23(5,19(4)25)17-29-31(27,28)21-15-13-18(3)14-16-21;1-22(2,18-11-5-3-6-12-18)29-21(25)23(16-10-9-15-20(23)24)17-28-30(26,27)19-13-7-4-8-14-19;1-16-11-13-19(14-12-16)29(25,26)27-15-22(5,17(2)23)20(24)28-21(3,4)18-9-7-6-8-10-18;1-6-30-14(26)17(5,15(27)32-16(2,3)4)10-31-33(28,29)13-8-11(18(20,21)22)7-12(9-13)19(23,24)25/h6-17,25-27H,4-5,18-24H2,1-3H3;6-14,23-25H,5,15-21H2,1-4H3;21-25H,4-20H2,1-3H3;6-9,19-21H,10-16H2,1-5H3;13-16,20H,6-12,17H2,1-5H3;4,7-8,13-14,18H,3,5-6,9-12,15-17H2,1-2H3;11-14,18H,6-10,15H2,1-5H3;7-9H,6,10H2,1-5H3
InChIKeySJQIMITUNAXXLQ-UHFFFAOYSA-N
XLogP42.98
TPSA712.38 Ų
H-Bond Donors
H-Bond Acceptors50
Rotatable Bonds74
Heavy Atoms276
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004007.11
LogP ≤ 542.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1050

Analyze 1-O-[2-(1-adamantyl)butan-2-yl] 3-O-phenyl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]propanedioate;3-(1-adamantyl)pentan-3-yl 2-methyl-2-(naphthalen-1-ylsulfonyloxymethyl)-3-oxo-3-phenylpropanoate;2-(1-adamantyl)propan-2-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate;2-(1-adamantyl)propan-2-yl 2-(octylsulfonyloxymethyl)-3-oxobicyclo[2.2.1]heptane-2-carboxylate;3-O-tert-butyl 1-O-ethyl 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyloxymethyl]-2-methylpropanedioate;3-cyclohexylpentan-3-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate;2-cyclohexylpropan-2-yl 1-(benzenesulfonyloxymethyl)-2-oxocyclohexane-1-carboxylate;2-cyclohexylpropan-2-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate with MolForge

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

Launch Full Analysis

Related Compounds

Benzenesulfonylbenzene;1,2-dimethyl-3-(methylsulfanylmethyl)benzene;1,2-dimethyl-3-(2-phenylpropan-2-yl)benzene;ethane;1-ethyl-2,3-dimethylbenzene;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methoxymethane;methylsulfanylethane;methylsulfanylmethylcyclohexane;methylsulfanylmethylcyclopentane;naphthalene;phenyl benzoate;phenylsulfanylbenzene;propane
CID 157058203
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
2-[2-(adamantane-1-carbonyloxy)-4-methylbenzoyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-[2-(9H-fluorene-9-carbonyloxy)-4-methylbenzoyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-(1H-indene-1-carbonyloxy)-4-methylbenzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[4-methyl-2-(naphthalene-1-carbonyloxy)benzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[4-methyl-2-(4-oxoadamantane-1-carbonyl)oxybenzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate
CID 158062225
4-(Anthracene-9-carbonyloxy)butane-1-sulfonate;bis(4-tert-butylphenyl)-phenylsulfanium;4-tert-butylbenzoate;cyclohexanecarboxylate;1-ethyl-7,7-dimethylbicyclo[2.2.1]heptan-2-one;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;tris(triphenylsulfanium)
CID 158140037
2-(1-Adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;methanesulfonate;triphenylsulfanium
CID 158251963
2-(Adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-methyl-1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1,3,3,3-pentafluoro-2-[(4-oxo-1-adamantyl)oxy]propane-1-sulfonate;bis(triphenylsulfanium)
CID 159690812
1-Benzyl-4-butoxybenzene;2-butoxycarbonylbenzenesulfonic acid;bis(1-tert-butyl-4-[(4-tert-butylphenyl)methyl]benzene);bis(1-ethyl-7,7-dimethylbicyclo[2.2.1]heptan-2-one);1-(2-methylbutan-2-yl)-4-[[4-(2-methylbutan-2-yl)phenyl]methyl]benzene;bis(2,3,4,5,6-pentafluorobenzenesulfonic acid);toluene;bis(trifluoromethanesulfonic acid);2,4,6-tri(propan-2-yl)benzenesulfonic acid
CID 159961899
2-(Adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-benzoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;(4-methylphenyl)-diphenylsulfanium;triphenylsulfanium
CID 160054826
(1,1-Difluoro-1-methoxysulfonylpropan-2-yl) 4-prop-1-en-2-ylnaphthalene-1-carboxylate;(1,1-difluoro-1-methoxysulfonylpropan-2-yl) 5-prop-1-en-2-ylnaphthalene-1-carboxylate;(4-methoxysulfonylphenyl) 2-methylprop-2-enoate;methyl 2-ethenylbenzenesulfonate;methyl 3-ethenylbenzenesulfonate;methyl 4-ethenylbenzenesulfonate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 6-prop-1-en-2-ylnaphthalene-2-carboxylate;(1,1,1,3,3-pentafluoro-3-methoxysulfonylpropan-2-yl) 7-prop-1-en-2-ylnaphthalene-1-carboxylate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 5-prop-1-en-2-ylnaphthalene-2-carboxylate;(1,1,1-trifluoro-3-methoxysulfonylpropan-2-yl) 7-prop-1-en-2-ylnaphthalene-2-carboxylate
CID 160342461
2-(Bicyclo[2.2.1]heptane-2-carbonyloxy)-1,1-difluoroethanesulfonic acid;1,1-difluoro-2-hexanoyloxyethanesulfonic acid;1,1-difluoro-2-(naphthalene-1-carbonyloxy)ethanesulfonic acid;tris(2-(4-diphenylsulfoniophenoxy)-2-oxoethanesulfonate);tris(triphenylsulfanium)
CID 160899255
2-(Adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;1-(2-bicyclo[2.2.1]heptanyl)-1,1,3,3,3-pentafluoro-2-methylpropane-2-sulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;(4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;dimethyl(phenyl)sulfanium;methyl(diphenyl)sulfanium;1,1,3,3,3-pentafluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;triphenylsulfanium
CID 161629814
1-O-[2-(1-adamantyl)butan-2-yl] 3-O-phenyl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]propanedioate;2-(1-adamantyl)propan-2-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate;2-(1-adamantyl)propan-2-yl 2-(octylsulfonyloxymethyl)-3-oxobicyclo[2.2.1]heptane-2-carboxylate;3-O-tert-butyl 1-O-ethyl 2-methyl-2-[[3-methyl-5-(trifluoromethyl)phenyl]sulfonyloxymethyl]propanedioate;2-cyclohexylpropan-2-yl 1-(benzenesulfonyloxymethyl)-2-oxocyclohexane-1-carboxylate
CID 161904148

Frequently Asked Questions

What is the IUPAC name of 1-O-[2-(1-adamantyl)butan-2-yl] 3-O-phenyl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]propanedioate;3-(1-adamantyl)pentan-3-yl 2-methyl-2-(naphthalen-1-ylsulfonyloxymethyl)-3-oxo-3-phenylpropanoate;2-(1-adamantyl)propan-2-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate;2-(1-adamantyl)propan-2-yl 2-(octylsulfonyloxymethyl)-3-oxobicyclo[2.2.1]heptane-2-carboxylate;3-O-tert-butyl 1-O-ethyl 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyloxymethyl]-2-methylpropanedioate;3-cyclohexylpentan-3-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate;2-cyclohexylpropan-2-yl 1-(benzenesulfonyloxymethyl)-2-oxocyclohexane-1-carboxylate;2-cyclohexylpropan-2-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate?
The IUPAC name of 1-O-[2-(1-adamantyl)butan-2-yl] 3-O-phenyl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]propanedioate;3-(1-adamantyl)pentan-3-yl 2-methyl-2-(naphthalen-1-ylsulfonyloxymethyl)-3-oxo-3-phenylpropanoate;2-(1-adamantyl)propan-2-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate;2-(1-adamantyl)propan-2-yl 2-(octylsulfonyloxymethyl)-3-oxobicyclo[2.2.1]heptane-2-carboxylate;3-O-tert-butyl 1-O-ethyl 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyloxymethyl]-2-methylpropanedioate;3-cyclohexylpentan-3-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate;2-cyclohexylpropan-2-yl 1-(benzenesulfonyloxymethyl)-2-oxocyclohexane-1-carboxylate;2-cyclohexylpropan-2-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate (CID 160854099) is 1-O-[2-(1-adamantyl)butan-2-yl] 3-O-phenyl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]propanedioate;3-(1-adamantyl)pentan-3-yl 2-methyl-2-(naphthalen-1-ylsulfonyloxymethyl)-3-oxo-3-phenylpropanoate;2-(1-adamantyl)propan-2-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate;2-(1-adamantyl)propan-2-yl 2-(octylsulfonyloxymethyl)-3-oxobicyclo[2.2.1]heptane-2-carboxylate;3-O-tert-butyl 1-O-ethyl 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyloxymethyl]-2-methylpropanedioate;3-cyclohexylpentan-3-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate;2-cyclohexylpropan-2-yl 1-(benzenesulfonyloxymethyl)-2-oxocyclohexane-1-carboxylate;2-cyclohexylpropan-2-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate.
What is the SMILES notation for 1-O-[2-(1-adamantyl)butan-2-yl] 3-O-phenyl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]propanedioate;3-(1-adamantyl)pentan-3-yl 2-methyl-2-(naphthalen-1-ylsulfonyloxymethyl)-3-oxo-3-phenylpropanoate;2-(1-adamantyl)propan-2-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate;2-(1-adamantyl)propan-2-yl 2-(octylsulfonyloxymethyl)-3-oxobicyclo[2.2.1]heptane-2-carboxylate;3-O-tert-butyl 1-O-ethyl 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyloxymethyl]-2-methylpropanedioate;3-cyclohexylpentan-3-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate;2-cyclohexylpropan-2-yl 1-(benzenesulfonyloxymethyl)-2-oxocyclohexane-1-carboxylate;2-cyclohexylpropan-2-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate?
The canonical SMILES for 1-O-[2-(1-adamantyl)butan-2-yl] 3-O-phenyl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]propanedioate;3-(1-adamantyl)pentan-3-yl 2-methyl-2-(naphthalen-1-ylsulfonyloxymethyl)-3-oxo-3-phenylpropanoate;2-(1-adamantyl)propan-2-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate;2-(1-adamantyl)propan-2-yl 2-(octylsulfonyloxymethyl)-3-oxobicyclo[2.2.1]heptane-2-carboxylate;3-O-tert-butyl 1-O-ethyl 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyloxymethyl]-2-methylpropanedioate;3-cyclohexylpentan-3-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate;2-cyclohexylpropan-2-yl 1-(benzenesulfonyloxymethyl)-2-oxocyclohexane-1-carboxylate;2-cyclohexylpropan-2-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate is CC(=O)C(C)(COS(=O)(=O)c1ccc(C)cc1)C(=O)OC(C)(C)C12CC3CC(CC(C3)C1)C2.CC(=O)C(C)(COS(=O)(=O)c1ccc(C)cc1)C(=O)OC(C)(C)C1CCCCC1.CC(C)(OC(=O)C1(COS(=O)(=O)c2ccccc2)CCCCC1=O)C1CCCCC1.CCC(C)(OC(=O)C(C)(COS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccccc1)C12CC3CC(CC(C3)C1)C2.CCC(CC)(OC(=O)C(C)(COS(=O)(=O)c1ccc(C)cc1)C(C)=O)C1CCCCC1.CCC(CC)(OC(=O)C(C)(COS(=O)(=O)c1cccc2ccccc12)C(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2.CCCCCCCCS(=O)(=O)OCC1(C(=O)OC(C)(C)C23CC4CC(CC(C4)C2)C3)C(=O)C2CCC1C2.CCOC(=O)C(C)(COS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)OC(C)(C)C.
What is the InChIKey of 1-O-[2-(1-adamantyl)butan-2-yl] 3-O-phenyl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]propanedioate;3-(1-adamantyl)pentan-3-yl 2-methyl-2-(naphthalen-1-ylsulfonyloxymethyl)-3-oxo-3-phenylpropanoate;2-(1-adamantyl)propan-2-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate;2-(1-adamantyl)propan-2-yl 2-(octylsulfonyloxymethyl)-3-oxobicyclo[2.2.1]heptane-2-carboxylate;3-O-tert-butyl 1-O-ethyl 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyloxymethyl]-2-methylpropanedioate;3-cyclohexylpentan-3-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate;2-cyclohexylpropan-2-yl 1-(benzenesulfonyloxymethyl)-2-oxocyclohexane-1-carboxylate;2-cyclohexylpropan-2-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate?
The InChIKey is SJQIMITUNAXXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42O6S.C32H40O7S.C30H48O6S.C26H36O6S.C24H36O6S.C23H32O6S.C22H32O6S.C19H22F6O7S/c1-4-36(5-2,35-21-25-18-26(22-35)20-27(19-25)23-35)42-33(38)34(3,32(37)29-13-7-6-8-14-29)24-41-43(39,40)31-17-11-15-28-12-9-10-16-30(28)31;1-5-31(4,32-18-23-15-24(19-32)17-25(16-23)20-32)39-29(34)30(3,28(33)38-26-9-7-6-8-10-26)21-37-40(35,36)27-13-11-22(2)12-14-27;1-4-5-6-7-8-9-12-37(33,34)35-20-30(25-11-10-24(16-25)26(30)31)27(32)36-28(2,3)29-17-21-13-22(18-29)15-23(14-21)19-29;1-17-6-8-22(9-7-17)33(29,30)31-16-25(5,18(2)27)23(28)32-24(3,4)26-13-19-10-20(14-26)12-21(11-19)15-26;1-6-24(7-2,20-11-9-8-10-12-20)30-22(26)23(5,19(4)25)17-29-31(27,28)21-15-13-18(3)14-16-21;1-22(2,18-11-5-3-6-12-18)29-21(25)23(16-10-9-15-20(23)24)17-28-30(26,27)19-13-7-4-8-14-19;1-16-11-13-19(14-12-16)29(25,26)27-15-22(5,17(2)23)20(24)28-21(3,4)18-9-7-6-8-10-18;1-6-30-14(26)17(5,15(27)32-16(2,3)4)10-31-33(28,29)13-8-11(18(20,21)22)7-12(9-13)19(23,24)25/h6-17,25-27H,4-5,18-24H2,1-3H3;6-14,23-25H,5,15-21H2,1-4H3;21-25H,4-20H2,1-3H3;6-9,19-21H,10-16H2,1-5H3;13-16,20H,6-12,17H2,1-5H3;4,7-8,13-14,18H,3,5-6,9-12,15-17H2,1-2H3;11-14,18H,6-10,15H2,1-5H3;7-9H,6,10H2,1-5H3.
What are the key properties of 1-O-[2-(1-adamantyl)butan-2-yl] 3-O-phenyl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]propanedioate;3-(1-adamantyl)pentan-3-yl 2-methyl-2-(naphthalen-1-ylsulfonyloxymethyl)-3-oxo-3-phenylpropanoate;2-(1-adamantyl)propan-2-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate;2-(1-adamantyl)propan-2-yl 2-(octylsulfonyloxymethyl)-3-oxobicyclo[2.2.1]heptane-2-carboxylate;3-O-tert-butyl 1-O-ethyl 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyloxymethyl]-2-methylpropanedioate;3-cyclohexylpentan-3-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate;2-cyclohexylpropan-2-yl 1-(benzenesulfonyloxymethyl)-2-oxocyclohexane-1-carboxylate;2-cyclohexylpropan-2-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate?
1-O-[2-(1-adamantyl)butan-2-yl] 3-O-phenyl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]propanedioate;3-(1-adamantyl)pentan-3-yl 2-methyl-2-(naphthalen-1-ylsulfonyloxymethyl)-3-oxo-3-phenylpropanoate;2-(1-adamantyl)propan-2-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate;2-(1-adamantyl)propan-2-yl 2-(octylsulfonyloxymethyl)-3-oxobicyclo[2.2.1]heptane-2-carboxylate;3-O-tert-butyl 1-O-ethyl 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyloxymethyl]-2-methylpropanedioate;3-cyclohexylpentan-3-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate;2-cyclohexylpropan-2-yl 1-(benzenesulfonyloxymethyl)-2-oxocyclohexane-1-carboxylate;2-cyclohexylpropan-2-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate has a molecular weight of 4007.11 g/mol, XLogP of 42.98, 74 rotatable bonds, 0 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-[2-(1-adamantyl)butan-2-yl] 3-O-phenyl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]propanedioate;3-(1-adamantyl)pentan-3-yl 2-methyl-2-(naphthalen-1-ylsulfonyloxymethyl)-3-oxo-3-phenylpropanoate;2-(1-adamantyl)propan-2-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate;2-(1-adamantyl)propan-2-yl 2-(octylsulfonyloxymethyl)-3-oxobicyclo[2.2.1]heptane-2-carboxylate;3-O-tert-butyl 1-O-ethyl 2-[[3,5-bis(trifluoromethyl)phenyl]sulfonyloxymethyl]-2-methylpropanedioate;3-cyclohexylpentan-3-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate;2-cyclohexylpropan-2-yl 1-(benzenesulfonyloxymethyl)-2-oxocyclohexane-1-carboxylate;2-cyclohexylpropan-2-yl 2-methyl-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxobutanoate is sourced from PubChem (CID 160854099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).