4-(4-tert-butylbenzoyl)oxy-2,6-dicyclopentylbenzenesulfonate;4-(4-tert-butylbenzoyl)oxy-5-methyl-2-propan-2-ylbenzenesulfonate;3,5-dicyclohexyl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;5-methyl-2-propan-2-yl-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate

C173H226O31S7-6 — CID 167705415

IUPAC4-(4-tert-butylbenzoyl)oxy-2,6-dicyclopentylbenzenesulfonate;4-(4-tert-butylbenzoyl)oxy-5-methyl-2-propan-2-ylbenzenesulfonate;3,5-dicyclohexyl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;5-methyl-2-propan-2-yl-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate
SMILESCC(C)(C)c1ccc(C(=O)Oc2cc(C3CCCC3)c(S(=O)(=O)[O-])c(C3CCCC3)c2)cc1.CC(C)c1cc(C(C)C)c(C(=O)Oc2c(C3CCCCC3)cc(S(=O)(=O)[O-])cc2C2CCCCC2)c(C(C)C)c1.Cc1cc(S(=O)(=O)[O-])c(C(C)C)cc1OC(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C.Cc1cc(S(=O)(=O)[O-])c(C(C)C)cc1OC(=O)c1ccc(C(C)(C)C)cc1.Cc1cc(S(=O)(=O)[O-])c(C(C)C)cc1OS(=O)(=O)c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=C(Oc1ccc(S(=O)(=O)[O-])cc1)c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1
InChIInChI=1S/C34H48O6S2.C34H48O5S.C31H40O5S.C27H34O5S.C26H36O5S.C21H26O5S/c1-23(2)29-22-32(24(3)19-33(29)41(35,36)37)40-42(38,39)34-30(26-15-9-5-10-16-26)20-28(25-13-7-4-8-14-25)21-31(34)27-17-11-6-12-18-27;1-21(2)26-17-28(22(3)4)32(29(18-26)23(5)6)34(35)39-33-30(24-13-9-7-10-14-24)19-27(40(36,37)38)20-31(33)25-15-11-8-12-16-25;32-31(36-26-16-18-27(19-17-26)37(33,34)35)30-28(23-12-6-2-7-13-23)20-25(22-10-4-1-5-11-22)21-29(30)24-14-8-3-9-15-24;1-27(2,3)21-14-12-20(13-15-21)26(28)32-22-16-23(18-8-4-5-9-18)25(33(29,30)31)24(17-22)19-10-6-7-11-19;1-14(2)19-11-21(16(5)6)25(22(12-19)17(7)8)26(27)31-23-13-20(15(3)4)24(10-18(23)9)32(28,29)30;1-13(2)17-12-18(14(3)11-19(17)27(23,24)25)26-20(22)15-7-9-16(10-8-15)21(4,5)6/h19-23,25-27H,4-18H2,1-3H3,(H,35,36,37);17-25H,7-16H2,1-6H3,(H,36,37,38);16-24H,1-15H2,(H,33,34,35);12-19H,4-11H2,1-3H3,(H,29,30,31);10-17H,1-9H3,(H,28,29,30);7-13H,1-6H3,(H,23,24,25)/p-6
InChIKeyZAMRBUHEPMPESW-UHFFFAOYSA-H
MW3026.15 g/mol
LogP43.74
Rot. Bonds38

About 4-(4-tert-butylbenzoyl)oxy-2,6-dicyclopentylbenzenesulfonate;4-(4-tert-butylbenzoyl)oxy-5-methyl-2-propan-2-ylbenzenesulfonate;3,5-dicyclohexyl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;5-methyl-2-propan-2-yl-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate

4-(4-tert-butylbenzoyl)oxy-2,6-dicyclopentylbenzenesulfonate;4-(4-tert-butylbenzoyl)oxy-5-methyl-2-propan-2-ylbenzenesulfonate;3,5-dicyclohexyl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;5-methyl-2-propan-2-yl-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate (PubChem CID 167705415) has the molecular formula C173H226O31S7-6 and a molecular weight of 3026.15 g/mol. Its IUPAC name is 4-(4-tert-butylbenzoyl)oxy-2,6-dicyclopentylbenzenesulfonate;4-(4-tert-butylbenzoyl)oxy-5-methyl-2-propan-2-ylbenzenesulfonate;3,5-dicyclohexyl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;5-methyl-2-propan-2-yl-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate.

Molecular Properties

Compound Name4-(4-tert-butylbenzoyl)oxy-2,6-dicyclopentylbenzenesulfonate;4-(4-tert-butylbenzoyl)oxy-5-methyl-2-propan-2-ylbenzenesulfonate;3,5-dicyclohexyl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;5-methyl-2-propan-2-yl-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate
PubChem CID167705415
Molecular FormulaC173H226O31S7-6
Molecular Weight3026.15 g/mol
Exact Mass3023.42
IUPAC Name4-(4-tert-butylbenzoyl)oxy-2,6-dicyclopentylbenzenesulfonate;4-(4-tert-butylbenzoyl)oxy-5-methyl-2-propan-2-ylbenzenesulfonate;3,5-dicyclohexyl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;5-methyl-2-propan-2-yl-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate
SMILESCC(C)(C)c1ccc(C(=O)Oc2cc(C3CCCC3)c(S(=O)(=O)[O-])c(C3CCCC3)c2)cc1.CC(C)c1cc(C(C)C)c(C(=O)Oc2c(C3CCCCC3)cc(S(=O)(=O)[O-])cc2C2CCCCC2)c(C(C)C)c1.Cc1cc(S(=O)(=O)[O-])c(C(C)C)cc1OC(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C.Cc1cc(S(=O)(=O)[O-])c(C(C)C)cc1OC(=O)c1ccc(C(C)(C)C)cc1.Cc1cc(S(=O)(=O)[O-])c(C(C)C)cc1OS(=O)(=O)c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=C(Oc1ccc(S(=O)(=O)[O-])cc1)c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1
InChIInChI=1S/C34H48O6S2.C34H48O5S.C31H40O5S.C27H34O5S.C26H36O5S.C21H26O5S/c1-23(2)29-22-32(24(3)19-33(29)41(35,36)37)40-42(38,39)34-30(26-15-9-5-10-16-26)20-28(25-13-7-4-8-14-25)21-31(34)27-17-11-6-12-18-27;1-21(2)26-17-28(22(3)4)32(29(18-26)23(5)6)34(35)39-33-30(24-13-9-7-10-14-24)19-27(40(36,37)38)20-31(33)25-15-11-8-12-16-25;32-31(36-26-16-18-27(19-17-26)37(33,34)35)30-28(23-12-6-2-7-13-23)20-25(22-10-4-1-5-11-22)21-29(30)24-14-8-3-9-15-24;1-27(2,3)21-14-12-20(13-15-21)26(28)32-22-16-23(18-8-4-5-9-18)25(33(29,30)31)24(17-22)19-10-6-7-11-19;1-14(2)19-11-21(16(5)6)25(22(12-19)17(7)8)26(27)31-23-13-20(15(3)4)24(10-18(23)9)32(28,29)30;1-13(2)17-12-18(14(3)11-19(17)27(23,24)25)26-20(22)15-7-9-16(10-8-15)21(4,5)6/h19-23,25-27H,4-18H2,1-3H3,(H,35,36,37);17-25H,7-16H2,1-6H3,(H,36,37,38);16-24H,1-15H2,(H,33,34,35);12-19H,4-11H2,1-3H3,(H,29,30,31);10-17H,1-9H3,(H,28,29,30);7-13H,1-6H3,(H,23,24,25)/p-6
InChIKeyZAMRBUHEPMPESW-UHFFFAOYSA-H
XLogP43.74
TPSA518.07 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds38
Heavy Atoms211
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003026.15
LogP ≤ 543.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 4-(4-tert-butylbenzoyl)oxy-2,6-dicyclopentylbenzenesulfonate;4-(4-tert-butylbenzoyl)oxy-5-methyl-2-propan-2-ylbenzenesulfonate;3,5-dicyclohexyl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;5-methyl-2-propan-2-yl-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate with MolForge

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Launch Full Analysis

Related Compounds

4-[4-[4-[(3,6-Disulfo-1-naphthyl)oxycarbonyl]phenyl]benzoyl]oxynaphthalene-2,7-disulfonic acid
CID 455629
2-(Adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;4-tert-butylbenzoate;(4-tert-butylphenyl)-diphenylsulfanium;5-methyl-2-propan-2-yl-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;10-phenylphenoxathiin-10-ium;tris(triphenylsulfanium);bis(2,4,6-tri(propan-2-yl)benzenesulfonate)
CID 157550170
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
sodium;4-[(E)-[6-[(2,6-dimethylphenyl)methyl]-9-(2-sulfonatophenyl)xanthen-3-ylidene]methyl]-3,5-dimethylbenzenesulfonate;2-(2-methylprop-2-enoyloxy)ethyl 2-[(6E)-3-benzyl-6-benzylidenexanthen-9-yl]benzoate;2-(2-methylprop-2-enoyloxy)ethyl 2-[(6E)-3-propyl-6-propylidenexanthen-9-yl]benzoate;methylsulfonyl(trifluoromethylsulfonyl)azanide;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane
CID 158864908
Bis((2-methyl-4-prop-2-enoylsulfanylphenyl) 4-(2-methylprop-2-enoylsulfanyl)benzoate);bis((3-methyl-4-prop-2-enoylsulfanylphenyl) 4-(2-methylprop-2-enoylsulfanyl)benzoate);(4-prop-2-enoylsulfanylphenyl) 3-methyl-4-(2-methylprop-2-enoylsulfanyl)benzoate;(4-prop-2-enoylsulfanylphenyl) 4-(2-methylprop-2-enoylsulfanyl)-2-(trifluoromethyl)benzoate
CID 159281950
Bis([2-methyl-4-(2-methylprop-2-enoylsulfanyl)phenyl] 4-prop-2-enoylsulfanylbenzoate);[3-methyl-4-(2-methylprop-2-enoylsulfanyl)phenyl] 4-prop-2-enoylsulfanylbenzoate;[4-(2-methylprop-2-enoylsulfanyl)phenyl] 2-methyl-4-prop-2-enoylsulfanylbenzoate;[4-(2-methylprop-2-enoylsulfanyl)phenyl] 3-methyl-4-prop-2-enoylsulfanylbenzoate;[4-(2-methylprop-2-enoylsulfanyl)phenyl] 4-prop-2-enoylsulfanyl-2-(trifluoromethyl)benzoate
CID 159366459
(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
1-(Benzenesulfonylsulfonyl)-4-butan-2-ylbenzene;[4-(4-butan-2-ylbenzoyl)oxyphenyl]-phenyliodanium;[4-(2,2-dimethylbutanoyloxy)phenyl]-diphenylsulfanium;[4-(4-methoxyphenyl)sulfonylsulfonylphenyl] 2,2-dimethylbutanoate;1-oxidoperoxysulfanyl-3,5-bis(trifluoromethyl)benzene;2-oxidoperoxysulfanyl-1,3,5-tri(propan-2-yl)benzene
CID 160914017
Bis(3,4-dimethylphenyl)methanone;[4-[4-(3,4-dimethylbenzoyl)oxy-3-methylphenyl]-2-methylphenyl] 3,4-dimethylbenzoate;[4-[4-(3,4-dimethylbenzoyl)oxyphenyl]phenyl] 3,4-dimethylbenzoate;[4-[4-(3,4-dimethylbenzoyl)oxy-2,3,5-trimethylphenyl]-2,3,6-trimethylphenyl] 3,4-dimethylbenzoate;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene
CID 161909274
4-[6-[(2-Ethyl-2-adamantyl)oxycarbonyloxy]-7-fluoronaphthalene-2-carbonyl]oxy-5,6,7,8-tetrahydronaphthalene-1-sulfonate
CID 177111687
4-[4-[(3,6-Disulfo-1-naphthyl)oxycarbonyl]benzoyl]oxynaphthalene-2,7-disulfonic acid
CID 461016
4-[6-[(2-Ethyl-2-adamantyl)oxycarbonyloxy]-7-fluoronaphthalene-2-carbonyl]oxy-5,6,7,8-tetrahydronaphthalene-1-sulfonic acid
CID 177111688

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylbenzoyl)oxy-2,6-dicyclopentylbenzenesulfonate;4-(4-tert-butylbenzoyl)oxy-5-methyl-2-propan-2-ylbenzenesulfonate;3,5-dicyclohexyl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;5-methyl-2-propan-2-yl-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate?
The IUPAC name of 4-(4-tert-butylbenzoyl)oxy-2,6-dicyclopentylbenzenesulfonate;4-(4-tert-butylbenzoyl)oxy-5-methyl-2-propan-2-ylbenzenesulfonate;3,5-dicyclohexyl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;5-methyl-2-propan-2-yl-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate (CID 167705415) is 4-(4-tert-butylbenzoyl)oxy-2,6-dicyclopentylbenzenesulfonate;4-(4-tert-butylbenzoyl)oxy-5-methyl-2-propan-2-ylbenzenesulfonate;3,5-dicyclohexyl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;5-methyl-2-propan-2-yl-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate.
What is the SMILES notation for 4-(4-tert-butylbenzoyl)oxy-2,6-dicyclopentylbenzenesulfonate;4-(4-tert-butylbenzoyl)oxy-5-methyl-2-propan-2-ylbenzenesulfonate;3,5-dicyclohexyl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;5-methyl-2-propan-2-yl-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate?
The canonical SMILES for 4-(4-tert-butylbenzoyl)oxy-2,6-dicyclopentylbenzenesulfonate;4-(4-tert-butylbenzoyl)oxy-5-methyl-2-propan-2-ylbenzenesulfonate;3,5-dicyclohexyl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;5-methyl-2-propan-2-yl-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate is CC(C)(C)c1ccc(C(=O)Oc2cc(C3CCCC3)c(S(=O)(=O)[O-])c(C3CCCC3)c2)cc1.CC(C)c1cc(C(C)C)c(C(=O)Oc2c(C3CCCCC3)cc(S(=O)(=O)[O-])cc2C2CCCCC2)c(C(C)C)c1.Cc1cc(S(=O)(=O)[O-])c(C(C)C)cc1OC(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C.Cc1cc(S(=O)(=O)[O-])c(C(C)C)cc1OC(=O)c1ccc(C(C)(C)C)cc1.Cc1cc(S(=O)(=O)[O-])c(C(C)C)cc1OS(=O)(=O)c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=C(Oc1ccc(S(=O)(=O)[O-])cc1)c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.
What is the InChIKey of 4-(4-tert-butylbenzoyl)oxy-2,6-dicyclopentylbenzenesulfonate;4-(4-tert-butylbenzoyl)oxy-5-methyl-2-propan-2-ylbenzenesulfonate;3,5-dicyclohexyl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;5-methyl-2-propan-2-yl-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate?
The InChIKey is ZAMRBUHEPMPESW-UHFFFAOYSA-H. The full InChI is InChI=1S/C34H48O6S2.C34H48O5S.C31H40O5S.C27H34O5S.C26H36O5S.C21H26O5S/c1-23(2)29-22-32(24(3)19-33(29)41(35,36)37)40-42(38,39)34-30(26-15-9-5-10-16-26)20-28(25-13-7-4-8-14-25)21-31(34)27-17-11-6-12-18-27;1-21(2)26-17-28(22(3)4)32(29(18-26)23(5)6)34(35)39-33-30(24-13-9-7-10-14-24)19-27(40(36,37)38)20-31(33)25-15-11-8-12-16-25;32-31(36-26-16-18-27(19-17-26)37(33,34)35)30-28(23-12-6-2-7-13-23)20-25(22-10-4-1-5-11-22)21-29(30)24-14-8-3-9-15-24;1-27(2,3)21-14-12-20(13-15-21)26(28)32-22-16-23(18-8-4-5-9-18)25(33(29,30)31)24(17-22)19-10-6-7-11-19;1-14(2)19-11-21(16(5)6)25(22(12-19)17(7)8)26(27)31-23-13-20(15(3)4)24(10-18(23)9)32(28,29)30;1-13(2)17-12-18(14(3)11-19(17)27(23,24)25)26-20(22)15-7-9-16(10-8-15)21(4,5)6/h19-23,25-27H,4-18H2,1-3H3,(H,35,36,37);17-25H,7-16H2,1-6H3,(H,36,37,38);16-24H,1-15H2,(H,33,34,35);12-19H,4-11H2,1-3H3,(H,29,30,31);10-17H,1-9H3,(H,28,29,30);7-13H,1-6H3,(H,23,24,25)/p-6.
What are the key properties of 4-(4-tert-butylbenzoyl)oxy-2,6-dicyclopentylbenzenesulfonate;4-(4-tert-butylbenzoyl)oxy-5-methyl-2-propan-2-ylbenzenesulfonate;3,5-dicyclohexyl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;5-methyl-2-propan-2-yl-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate?
4-(4-tert-butylbenzoyl)oxy-2,6-dicyclopentylbenzenesulfonate;4-(4-tert-butylbenzoyl)oxy-5-methyl-2-propan-2-ylbenzenesulfonate;3,5-dicyclohexyl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;5-methyl-2-propan-2-yl-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate has a molecular weight of 3026.15 g/mol, XLogP of 43.74, 38 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylbenzoyl)oxy-2,6-dicyclopentylbenzenesulfonate;4-(4-tert-butylbenzoyl)oxy-5-methyl-2-propan-2-ylbenzenesulfonate;3,5-dicyclohexyl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;5-methyl-2-propan-2-yl-4-(2,4,6-tricyclohexylphenyl)sulfonyloxybenzenesulfonate;5-methyl-2-propan-2-yl-4-[2,4,6-tri(propan-2-yl)benzoyl]oxybenzenesulfonate;4-(2,4,6-tricyclohexylbenzoyl)oxybenzenesulfonate is sourced from PubChem (CID 167705415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).