[3-hydroxy-5-[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;[3-hydroxy-5-[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;2-[[3-hydroxy-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl]oxy]ethyl 2,2-difluoropropanoate;[3-hydroxy-5-[2-oxo-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;tetrakis(triphenylsulfanium)

C166H178F8O35S4+4 — CID 157358814

About [3-hydroxy-5-[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;[3-hydroxy-5-[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;2-[[3-hydroxy-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl]oxy]ethyl 2,2-difluoropropanoate;[3-hydroxy-5-[2-oxo-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;tetrakis(triphenylsulfanium)

[3-hydroxy-5-[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;[3-hydroxy-5-[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;2-[[3-hydroxy-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl]oxy]ethyl 2,2-difluoropropanoate;[3-hydroxy-5-[2-oxo-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;tetrakis(triphenylsulfanium) (PubChem CID 157358814) has the molecular formula C166H178F8O35S4+4 and a molecular weight of 3013.47 g/mol. Its IUPAC name is [3-hydroxy-5-[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;[3-hydroxy-5-[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;2-[[3-hydroxy-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl]oxy]ethyl 2,2-difluoropropanoate;[3-hydroxy-5-[2-oxo-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;tetrakis(triphenylsulfanium).

Molecular Properties

• Compound Name: [3-hydroxy-5-[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;[3-hydroxy-5-[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;2-[[3-hydroxy-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl]oxy]ethyl 2,2-difluoropropanoate;[3-hydroxy-5-[2-oxo-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;tetrakis(triphenylsulfanium)
• PubChem CID: 157358814
• Molecular Formula: C166H178F8O35S4+4
• Molecular Weight: 3013.47 g/mol
• Exact Mass: 3011.09
• IUPAC Name: [3-hydroxy-5-[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;[3-hydroxy-5-[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;2-[[3-hydroxy-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl]oxy]ethyl 2,2-difluoropropanoate;[3-hydroxy-5-[2-oxo-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;tetrakis(triphenylsulfanium)
• SMILES: CC(F)(F)C(=O)OC12CC3CC(O)(CC(OCC(=O)OC4C5CC6C(=O)OC4C6O5)(C3)C1)C2.CC(F)(F)C(=O)OC12CC3CC(O)(CC(OCC(=O)OC4CCC5CC4OC5=O)(C3)C1)C2.CC(F)(F)C(=O)OC12CC3CC(O)(CC(OCC(=O)OCCOC4C5CC6C(=O)OC4C6C5)(C3)C1)C2.CC(F)(F)C(=O)OCCOC12CC3CC(O)(C1)CC(OCC(=O)OC1C4CC5C(=O)OC1C5C4)(C3)C2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/2C25H32F2O9.C22H26F2O9.C22H28F2O8.4C18H15S/c1-22(26,27)21(30)32-2-3-33-24-7-13-6-23(31,10-24)11-25(8-13,12-24)34-9-17(28)35-18-14-4-15-16(5-14)20(29)36-19(15)18;1-22(26,27)21(30)36-25-8-13-6-23(31,11-25)10-24(7-13,12-25)34-9-17(28)32-2-3-33-18-14-4-15-16(5-14)20(29)35-19(15)18;1-19(23,24)18(27)33-22-5-10-3-20(28,8-22)7-21(4-10,9-22)29-6-13(25)31-15-12-2-11-14(30-12)16(15)32-17(11)26;1-19(23,24)18(27)32-22-7-12-5-20(28,10-22)9-21(6-12,11-22)29-8-16(25)30-14-3-2-13-4-15(14)31-17(13)26;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h2*13-16,18-19,31H,2-12H2,1H3;10-12,14-16,28H,2-9H2,1H3;12-15,28H,2-11H2,1H3;4*1-15H/q;;;;4*+1
• InChIKey: BIJYVBPQXXFTLU-UHFFFAOYSA-N
• XLogP: 26.04
• TPSA: 461.13 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 35
• Rotatable Bonds: 42
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3013.47
LogP ≤ 5	26.04
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	35

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'}

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-5-[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;[3-hydroxy-5-[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;2-[[3-hydroxy-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl]oxy]ethyl 2,2-difluoropropanoate;[3-hydroxy-5-[2-oxo-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;tetrakis(triphenylsulfanium)?

The IUPAC name of [3-hydroxy-5-[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;[3-hydroxy-5-[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;2-[[3-hydroxy-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl]oxy]ethyl 2,2-difluoropropanoate;[3-hydroxy-5-[2-oxo-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;tetrakis(triphenylsulfanium) (CID 157358814) is [3-hydroxy-5-[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;[3-hydroxy-5-[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;2-[[3-hydroxy-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl]oxy]ethyl 2,2-difluoropropanoate;[3-hydroxy-5-[2-oxo-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;tetrakis(triphenylsulfanium).

What is the SMILES notation for [3-hydroxy-5-[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;[3-hydroxy-5-[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;2-[[3-hydroxy-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl]oxy]ethyl 2,2-difluoropropanoate;[3-hydroxy-5-[2-oxo-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;tetrakis(triphenylsulfanium)?

The canonical SMILES for [3-hydroxy-5-[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;[3-hydroxy-5-[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;2-[[3-hydroxy-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl]oxy]ethyl 2,2-difluoropropanoate;[3-hydroxy-5-[2-oxo-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;tetrakis(triphenylsulfanium) is CC(F)(F)C(=O)OC12CC3CC(O)(CC(OCC(=O)OC4C5CC6C(=O)OC4C6O5)(C3)C1)C2.CC(F)(F)C(=O)OC12CC3CC(O)(CC(OCC(=O)OC4CCC5CC4OC5=O)(C3)C1)C2.CC(F)(F)C(=O)OC12CC3CC(O)(CC(OCC(=O)OCCOC4C5CC6C(=O)OC4C6C5)(C3)C1)C2.CC(F)(F)C(=O)OCCOC12CC3CC(O)(C1)CC(OCC(=O)OC1C4CC5C(=O)OC1C5C4)(C3)C2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of [3-hydroxy-5-[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;[3-hydroxy-5-[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;2-[[3-hydroxy-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl]oxy]ethyl 2,2-difluoropropanoate;[3-hydroxy-5-[2-oxo-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;tetrakis(triphenylsulfanium)?

The InChIKey is BIJYVBPQXXFTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H32F2O9.C22H26F2O9.C22H28F2O8.4C18H15S/c1-22(26,27)21(30)32-2-3-33-24-7-13-6-23(31,10-24)11-25(8-13,12-24)34-9-17(28)35-18-14-4-15-16(5-14)20(29)36-19(15)18;1-22(26,27)21(30)36-25-8-13-6-23(31,11-25)10-24(7-13,12-25)34-9-17(28)32-2-3-33-18-14-4-15-16(5-14)20(29)35-19(15)18;1-19(23,24)18(27)33-22-5-10-3-20(28,8-22)7-21(4-10,9-22)29-6-13(25)31-15-12-2-11-14(30-12)16(15)32-17(11)26;1-19(23,24)18(27)32-22-7-12-5-20(28,10-22)9-21(6-12,11-22)29-8-16(25)30-14-3-2-13-4-15(14)31-17(13)26;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h2*13-16,18-19,31H,2-12H2,1H3;10-12,14-16,28H,2-9H2,1H3;12-15,28H,2-11H2,1H3;4*1-15H/q;;;;4*+1.

What are the key properties of [3-hydroxy-5-[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;[3-hydroxy-5-[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;2-[[3-hydroxy-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl]oxy]ethyl 2,2-difluoropropanoate;[3-hydroxy-5-[2-oxo-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;tetrakis(triphenylsulfanium)?

[3-hydroxy-5-[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;[3-hydroxy-5-[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;2-[[3-hydroxy-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl]oxy]ethyl 2,2-difluoropropanoate;[3-hydroxy-5-[2-oxo-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;tetrakis(triphenylsulfanium) has a molecular weight of 3013.47 g/mol, XLogP of 26.04, 42 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for [3-hydroxy-5-[2-oxo-2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;[3-hydroxy-5-[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;2-[[3-hydroxy-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl]oxy]ethyl 2,2-difluoropropanoate;[3-hydroxy-5-[2-oxo-2-[2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;tetrakis(triphenylsulfanium) is sourced from PubChem (CID 157358814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).