4-butan-2-yl-2-methoxyphenol;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenoxy)oxane;tert-butyl 2,2-dimethylbutanoate;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;3-[4-[2-(2,2-dimethylbutanoyloxy)ethyl]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(1,3-dioxoinden-2-yl) 4-butan-2-ylbenzenesulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;methane

C141H240F6O24S4 — CID 158484583

About 4-butan-2-yl-2-methoxyphenol;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenoxy)oxane;tert-butyl 2,2-dimethylbutanoate;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;3-[4-[2-(2,2-dimethylbutanoyloxy)ethyl]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(1,3-dioxoinden-2-yl) 4-butan-2-ylbenzenesulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;methane

4-butan-2-yl-2-methoxyphenol;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenoxy)oxane;tert-butyl 2,2-dimethylbutanoate;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;3-[4-[2-(2,2-dimethylbutanoyloxy)ethyl]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(1,3-dioxoinden-2-yl) 4-butan-2-ylbenzenesulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;methane (PubChem CID 158484583) has the molecular formula C141H240F6O24S4 and a molecular weight of 2561.70 g/mol. Its IUPAC name is 4-butan-2-yl-2-methoxyphenol;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenoxy)oxane;tert-butyl 2,2-dimethylbutanoate;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;3-[4-[2-(2,2-dimethylbutanoyloxy)ethyl]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(1,3-dioxoinden-2-yl) 4-butan-2-ylbenzenesulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;methane.

Molecular Properties

• Compound Name: 4-butan-2-yl-2-methoxyphenol;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenoxy)oxane;tert-butyl 2,2-dimethylbutanoate;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;3-[4-[2-(2,2-dimethylbutanoyloxy)ethyl]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(1,3-dioxoinden-2-yl) 4-butan-2-ylbenzenesulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;methane
• PubChem CID: 158484583
• Molecular Formula: C141H240F6O24S4
• Molecular Weight: 2561.70 g/mol
• Exact Mass: 2559.63
• IUPAC Name: 4-butan-2-yl-2-methoxyphenol;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenoxy)oxane;tert-butyl 2,2-dimethylbutanoate;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;3-[4-[2-(2,2-dimethylbutanoyloxy)ethyl]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(1,3-dioxoinden-2-yl) 4-butan-2-ylbenzenesulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;methane
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CCC(C)(C)C(=O)OC(C)(C)C.CCC(C)(C)C(=O)OCCc1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.CCC(C)c1ccc(O)c(OC)c1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC2CCCCO2)cc1.CCC(C)c1ccc(S(=O)(=O)OC2C(=O)c3ccccc3C2=O)cc1.CCC1(OC(=O)C(C)(C)CC)CCCC1
• InChI: InChI=1S/C20H29OS.C19H18O5S.C17H20F6O8S2.C15H22O2.C13H24O2.C11H16O2.C10H20O2.2C10H14O.16CH4/c1-20(2,22-14-6-7-15-22)19(21)18-12-10-17(11-13-18)16-8-4-3-5-9-16;1-3-12(2)13-8-10-14(11-9-13)25(22,23)24-19-17(20)15-6-4-5-7-16(15)18(19)21;1-4-14(2,3)13(24)30-10-9-11-5-7-12(8-6-11)31-33(28,29)17(22,23)15(18,19)16(20,21)32(25,26)27;1-3-12(2)13-7-9-14(10-8-13)17-15-6-4-5-11-16-15;1-5-12(3,4)11(14)15-13(6-2)9-7-8-10-13;1-4-8(2)9-5-6-10(12)11(7-9)13-3;1-7-10(5,6)8(11)12-9(2,3)4;2*1-3-8(2)9-4-6-10(11)7-5-9;;;;;;;;;;;;;;;;/h10-13,16H,3-9,14-15H2,1-2H3;4-12,19H,3H2,1-2H3;5-8H,4,9-10H2,1-3H3,(H,25,26,27);7-10,12,15H,3-6,11H2,1-2H3;5-10H2,1-4H3;5-8,12H,4H2,1-3H3;7H2,1-6H3;2*4-8,11H,3H2,1-2H3;16*1H4/q+1;;;;;;;;;;;;;;;;;;;;;;;;/p-1
• InChIKey: HHXYRTHNEXHEPR-UHFFFAOYSA-M
• XLogP: 41.21
• TPSA: 362.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 37
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2561.70
LogP ≤ 5	41.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-2-methoxyphenol;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenoxy)oxane;tert-butyl 2,2-dimethylbutanoate;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;3-[4-[2-(2,2-dimethylbutanoyloxy)ethyl]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(1,3-dioxoinden-2-yl) 4-butan-2-ylbenzenesulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;methane?

The IUPAC name of 4-butan-2-yl-2-methoxyphenol;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenoxy)oxane;tert-butyl 2,2-dimethylbutanoate;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;3-[4-[2-(2,2-dimethylbutanoyloxy)ethyl]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(1,3-dioxoinden-2-yl) 4-butan-2-ylbenzenesulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;methane (CID 158484583) is 4-butan-2-yl-2-methoxyphenol;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenoxy)oxane;tert-butyl 2,2-dimethylbutanoate;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;3-[4-[2-(2,2-dimethylbutanoyloxy)ethyl]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(1,3-dioxoinden-2-yl) 4-butan-2-ylbenzenesulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;methane.

What is the SMILES notation for 4-butan-2-yl-2-methoxyphenol;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenoxy)oxane;tert-butyl 2,2-dimethylbutanoate;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;3-[4-[2-(2,2-dimethylbutanoyloxy)ethyl]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(1,3-dioxoinden-2-yl) 4-butan-2-ylbenzenesulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;methane?

The canonical SMILES for 4-butan-2-yl-2-methoxyphenol;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenoxy)oxane;tert-butyl 2,2-dimethylbutanoate;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;3-[4-[2-(2,2-dimethylbutanoyloxy)ethyl]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(1,3-dioxoinden-2-yl) 4-butan-2-ylbenzenesulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;methane is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CCC(C)(C)C(=O)OC(C)(C)C.CCC(C)(C)C(=O)OCCc1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.CCC(C)c1ccc(O)c(OC)c1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC2CCCCO2)cc1.CCC(C)c1ccc(S(=O)(=O)OC2C(=O)c3ccccc3C2=O)cc1.CCC1(OC(=O)C(C)(C)CC)CCCC1.

What is the InChIKey of 4-butan-2-yl-2-methoxyphenol;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenoxy)oxane;tert-butyl 2,2-dimethylbutanoate;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;3-[4-[2-(2,2-dimethylbutanoyloxy)ethyl]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(1,3-dioxoinden-2-yl) 4-butan-2-ylbenzenesulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;methane?

The InChIKey is HHXYRTHNEXHEPR-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H29OS.C19H18O5S.C17H20F6O8S2.C15H22O2.C13H24O2.C11H16O2.C10H20O2.2C10H14O.16CH4/c1-20(2,22-14-6-7-15-22)19(21)18-12-10-17(11-13-18)16-8-4-3-5-9-16;1-3-12(2)13-8-10-14(11-9-13)25(22,23)24-19-17(20)15-6-4-5-7-16(15)18(19)21;1-4-14(2,3)13(24)30-10-9-11-5-7-12(8-6-11)31-33(28,29)17(22,23)15(18,19)16(20,21)32(25,26)27;1-3-12(2)13-7-9-14(10-8-13)17-15-6-4-5-11-16-15;1-5-12(3,4)11(14)15-13(6-2)9-7-8-10-13;1-4-8(2)9-5-6-10(12)11(7-9)13-3;1-7-10(5,6)8(11)12-9(2,3)4;2*1-3-8(2)9-4-6-10(11)7-5-9;;;;;;;;;;;;;;;;/h10-13,16H,3-9,14-15H2,1-2H3;4-12,19H,3H2,1-2H3;5-8H,4,9-10H2,1-3H3,(H,25,26,27);7-10,12,15H,3-6,11H2,1-2H3;5-10H2,1-4H3;5-8,12H,4H2,1-3H3;7H2,1-6H3;2*4-8,11H,3H2,1-2H3;16*1H4/q+1;;;;;;;;;;;;;;;;;;;;;;;;/p-1.

What are the key properties of 4-butan-2-yl-2-methoxyphenol;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenoxy)oxane;tert-butyl 2,2-dimethylbutanoate;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;3-[4-[2-(2,2-dimethylbutanoyloxy)ethyl]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(1,3-dioxoinden-2-yl) 4-butan-2-ylbenzenesulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;methane?

4-butan-2-yl-2-methoxyphenol;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenoxy)oxane;tert-butyl 2,2-dimethylbutanoate;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;3-[4-[2-(2,2-dimethylbutanoyloxy)ethyl]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(1,3-dioxoinden-2-yl) 4-butan-2-ylbenzenesulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;methane has a molecular weight of 2561.70 g/mol, XLogP of 41.21, 37 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-butan-2-yl-2-methoxyphenol;bis(4-butan-2-ylphenol);2-(4-butan-2-ylphenoxy)oxane;tert-butyl 2,2-dimethylbutanoate;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;3-[4-[2-(2,2-dimethylbutanoyloxy)ethyl]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(1,3-dioxoinden-2-yl) 4-butan-2-ylbenzenesulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;methane is sourced from PubChem (CID 158484583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).