2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;bis([3-(1-ethylcyclopentyl)oxy-1-adamantyl] 2,2-dimethylbutanoate);bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;triphenylsulfanium

C141H210F2O32S2 — CID 163442492

About 2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;bis([3-(1-ethylcyclopentyl)oxy-1-adamantyl] 2,2-dimethylbutanoate);bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;triphenylsulfanium

2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;bis([3-(1-ethylcyclopentyl)oxy-1-adamantyl] 2,2-dimethylbutanoate);bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;triphenylsulfanium (PubChem CID 163442492) has the molecular formula C141H210F2O32S2 and a molecular weight of 2519.33 g/mol. Its IUPAC name is 2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;bis([3-(1-ethylcyclopentyl)oxy-1-adamantyl] 2,2-dimethylbutanoate);bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;triphenylsulfanium.

Molecular Properties

• Compound Name: 2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;bis([3-(1-ethylcyclopentyl)oxy-1-adamantyl] 2,2-dimethylbutanoate);bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;triphenylsulfanium
• PubChem CID: 163442492
• Molecular Formula: C141H210F2O32S2
• Molecular Weight: 2519.33 g/mol
• Exact Mass: 2517.42
• IUPAC Name: 2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;bis([3-(1-ethylcyclopentyl)oxy-1-adamantyl] 2,2-dimethylbutanoate);bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;triphenylsulfanium
• SMILES: CCC(C)(C)C(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3O2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3O2.CCC(C)(C)C(=O)OCC1COC(=O)O1.CCC1(OC23CC4CC(CC(OC(=O)C(C)(C)CC)(C4)C2)C3)CCCC1.CCC1(OC23CC4CC(CC(OC(=O)C(C)(C)CC)(C4)C2)C3)CCCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/2C23H38O3.C18H15S.2C16H26O3.2C13H18O5.C10H16O5.C9H16F2O5S/c2*1-5-20(3,4)19(24)25-22-12-17-11-18(13-22)15-23(14-17,16-22)26-21(6-2)9-7-8-10-21;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-4-14(2,3)13(17)19-16-8-11-5-12(9-16)7-15(18,6-11)10-16;2*1-4-13(2,3)12(15)18-9-7-5-6-8(16-7)10(9)17-11(6)14;1-4-10(2,3)8(11)13-5-7-6-14-9(12)15-7;1-5-8(3,4)7(12)16-6(2)9(10,11)17(13,14)15/h2*17-18H,5-16H2,1-4H3;1-15H;2*11-12,18H,4-10H2,1-3H3;2*6-10H,4-5H2,1-3H3;7H,4-6H2,1-3H3;6H,5H2,1-4H3,(H,13,14,15)/q;;+1;;;;;;/p-1
• InChIKey: AZRWXQCOWJSFST-UHFFFAOYSA-M
• XLogP: 27.56
• TPSA: 433.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 32
• Rotatable Bonds: 36
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2519.33
LogP ≤ 5	27.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;bis([3-(1-ethylcyclopentyl)oxy-1-adamantyl] 2,2-dimethylbutanoate);bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;triphenylsulfanium?

The IUPAC name of 2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;bis([3-(1-ethylcyclopentyl)oxy-1-adamantyl] 2,2-dimethylbutanoate);bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;triphenylsulfanium (CID 163442492) is 2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;bis([3-(1-ethylcyclopentyl)oxy-1-adamantyl] 2,2-dimethylbutanoate);bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;triphenylsulfanium.

What is the SMILES notation for 2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;bis([3-(1-ethylcyclopentyl)oxy-1-adamantyl] 2,2-dimethylbutanoate);bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;triphenylsulfanium?

The canonical SMILES for 2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;bis([3-(1-ethylcyclopentyl)oxy-1-adamantyl] 2,2-dimethylbutanoate);bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;triphenylsulfanium is CCC(C)(C)C(=O)OC(C)C(F)(F)S(=O)(=O)[O-].CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3O2.CCC(C)(C)C(=O)OC1C2CC3C(=O)OC1C3O2.CCC(C)(C)C(=O)OCC1COC(=O)O1.CCC1(OC23CC4CC(CC(OC(=O)C(C)(C)CC)(C4)C2)C3)CCCC1.CCC1(OC23CC4CC(CC(OC(=O)C(C)(C)CC)(C4)C2)C3)CCCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;bis([3-(1-ethylcyclopentyl)oxy-1-adamantyl] 2,2-dimethylbutanoate);bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;triphenylsulfanium?

The InChIKey is AZRWXQCOWJSFST-UHFFFAOYSA-M. The full InChI is InChI=1S/2C23H38O3.C18H15S.2C16H26O3.2C13H18O5.C10H16O5.C9H16F2O5S/c2*1-5-20(3,4)19(24)25-22-12-17-11-18(13-22)15-23(14-17,16-22)26-21(6-2)9-7-8-10-21;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-4-14(2,3)13(17)19-16-8-11-5-12(9-16)7-15(18,6-11)10-16;2*1-4-13(2,3)12(15)18-9-7-5-6-8(16-7)10(9)17-11(6)14;1-4-10(2,3)8(11)13-5-7-6-14-9(12)15-7;1-5-8(3,4)7(12)16-6(2)9(10,11)17(13,14)15/h2*17-18H,5-16H2,1-4H3;1-15H;2*11-12,18H,4-10H2,1-3H3;2*6-10H,4-5H2,1-3H3;7H,4-6H2,1-3H3;6H,5H2,1-4H3,(H,13,14,15)/q;;+1;;;;;;/p-1.

What are the key properties of 2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;bis([3-(1-ethylcyclopentyl)oxy-1-adamantyl] 2,2-dimethylbutanoate);bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;triphenylsulfanium?

2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;bis([3-(1-ethylcyclopentyl)oxy-1-adamantyl] 2,2-dimethylbutanoate);bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;triphenylsulfanium has a molecular weight of 2519.33 g/mol, XLogP of 27.56, 36 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate;bis([3-(1-ethylcyclopentyl)oxy-1-adamantyl] 2,2-dimethylbutanoate);bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);bis((5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-dimethylbutanoate);(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;triphenylsulfanium is sourced from PubChem (CID 163442492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).