tert-butyl 2-[2-[[4-(2,2-difluoropropanoyloxy)-4-ethyl-1-adamantyl]oxy]acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;pentakis(diphenyliodanium);[2-ethyl-5-[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[2-ethyl-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[5-hydroxy-2-methyl-7-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-propan-2-yl-2-adamantyl] 2,2-difluoropropanoate

C189H218F10I5O38+5 — CID 157092746

About tert-butyl 2-[2-[[4-(2,2-difluoropropanoyloxy)-4-ethyl-1-adamantyl]oxy]acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;pentakis(diphenyliodanium);[2-ethyl-5-[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[2-ethyl-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[5-hydroxy-2-methyl-7-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-propan-2-yl-2-adamantyl] 2,2-difluoropropanoate

tert-butyl 2-[2-[[4-(2,2-difluoropropanoyloxy)-4-ethyl-1-adamantyl]oxy]acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;pentakis(diphenyliodanium);[2-ethyl-5-[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[2-ethyl-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[5-hydroxy-2-methyl-7-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-propan-2-yl-2-adamantyl] 2,2-difluoropropanoate (PubChem CID 157092746) has the molecular formula C189H218F10I5O38+5 and a molecular weight of 3922.28 g/mol. Its IUPAC name is tert-butyl 2-[2-[[4-(2,2-difluoropropanoyloxy)-4-ethyl-1-adamantyl]oxy]acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;pentakis(diphenyliodanium);[2-ethyl-5-[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[2-ethyl-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[5-hydroxy-2-methyl-7-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-propan-2-yl-2-adamantyl] 2,2-difluoropropanoate.

Molecular Properties

• Compound Name: tert-butyl 2-[2-[[4-(2,2-difluoropropanoyloxy)-4-ethyl-1-adamantyl]oxy]acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;pentakis(diphenyliodanium);[2-ethyl-5-[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[2-ethyl-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[5-hydroxy-2-methyl-7-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-propan-2-yl-2-adamantyl] 2,2-difluoropropanoate
• PubChem CID: 157092746
• Molecular Formula: C189H218F10I5O38+5
• Molecular Weight: 3922.28 g/mol
• Exact Mass: 3920.02
• IUPAC Name: tert-butyl 2-[2-[[4-(2,2-difluoropropanoyloxy)-4-ethyl-1-adamantyl]oxy]acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;pentakis(diphenyliodanium);[2-ethyl-5-[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[2-ethyl-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[5-hydroxy-2-methyl-7-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-propan-2-yl-2-adamantyl] 2,2-difluoropropanoate
• SMILES: CC(C)C1(OC(=O)C(C)(F)F)C2CC3CC1CC(OCC(=O)OC1C4CC5C(=O)OC1C5C4)(C3)C2.CC(F)(F)C(=O)OC1(C)C2CC3(O)CC1CC(OCC(=O)OC1C4CC5C(=O)OC1C5C4)(C2)C3.CCC1(OC(=O)C(C)(F)F)C2CC3CC1CC(OCC(=O)OC1C4CC5C(=O)OC1C5C4)(C3)C2.CCC1(OC(=O)C(C)(F)F)C2CC3CC1CC(OCC(=O)OC1C4CC5C1OC(=O)C5C4C(=O)OC(C)(C)C)(C3)C2.CCC1(OC(=O)C(C)(F)F)C2CC3CC1CC(OCC(=O)OC1CCC4CC1OC4=O)(C3)C2.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1
• InChI: InChI=1S/C30H40F2O9.C26H34F2O7.C25H32F2O7.C24H30F2O8.C24H32F2O7.5C12H10I/c1-6-30(41-26(36)28(5,31)32)15-7-14-8-16(30)12-29(10-14,11-15)37-13-19(33)38-22-18-9-17-20(24(34)39-23(17)22)21(18)25(35)40-27(2,3)4;1-12(2)26(35-23(31)24(3,27)28)15-4-13-5-16(26)10-25(8-13,9-15)32-11-19(29)33-20-14-6-17-18(7-14)22(30)34-21(17)20;1-3-25(34-22(30)23(2,26)27)14-4-12-5-15(25)10-24(8-12,9-14)31-11-18(28)32-19-13-6-16-17(7-13)21(29)33-20(16)19;1-21(34-20(29)22(2,25)26)12-5-23(30)6-13(21)8-24(7-12,10-23)31-9-16(27)32-17-11-3-14-15(4-11)19(28)33-18(14)17;1-3-24(33-21(29)22(2,25)26)15-6-13-7-16(24)11-23(9-13,10-15)30-12-19(27)31-17-5-4-14-8-18(17)32-20(14)28;5*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h14-18,20-23H,6-13H2,1-5H3;12-18,20-21H,4-11H2,1-3H3;12-17,19-20H,3-11H2,1-2H3;11-15,17-18,30H,3-10H2,1-2H3;13-18H,3-12H2,1-2H3;5*1-10H/q;;;;;5*+1
• InChIKey: AEVVMGBDATURGR-UHFFFAOYSA-N
• XLogP: 15.87
• TPSA: 487.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 38
• Rotatable Bonds: 45
• Heavy Atoms: 242
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3922.28
LogP ≤ 5	15.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[[4-(2,2-difluoropropanoyloxy)-4-ethyl-1-adamantyl]oxy]acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;pentakis(diphenyliodanium);[2-ethyl-5-[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[2-ethyl-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[5-hydroxy-2-methyl-7-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-propan-2-yl-2-adamantyl] 2,2-difluoropropanoate?

The IUPAC name of tert-butyl 2-[2-[[4-(2,2-difluoropropanoyloxy)-4-ethyl-1-adamantyl]oxy]acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;pentakis(diphenyliodanium);[2-ethyl-5-[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[2-ethyl-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[5-hydroxy-2-methyl-7-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-propan-2-yl-2-adamantyl] 2,2-difluoropropanoate (CID 157092746) is tert-butyl 2-[2-[[4-(2,2-difluoropropanoyloxy)-4-ethyl-1-adamantyl]oxy]acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;pentakis(diphenyliodanium);[2-ethyl-5-[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[2-ethyl-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[5-hydroxy-2-methyl-7-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-propan-2-yl-2-adamantyl] 2,2-difluoropropanoate.

What is the SMILES notation for tert-butyl 2-[2-[[4-(2,2-difluoropropanoyloxy)-4-ethyl-1-adamantyl]oxy]acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;pentakis(diphenyliodanium);[2-ethyl-5-[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[2-ethyl-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[5-hydroxy-2-methyl-7-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-propan-2-yl-2-adamantyl] 2,2-difluoropropanoate?

The canonical SMILES for tert-butyl 2-[2-[[4-(2,2-difluoropropanoyloxy)-4-ethyl-1-adamantyl]oxy]acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;pentakis(diphenyliodanium);[2-ethyl-5-[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[2-ethyl-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[5-hydroxy-2-methyl-7-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-propan-2-yl-2-adamantyl] 2,2-difluoropropanoate is CC(C)C1(OC(=O)C(C)(F)F)C2CC3CC1CC(OCC(=O)OC1C4CC5C(=O)OC1C5C4)(C3)C2.CC(F)(F)C(=O)OC1(C)C2CC3(O)CC1CC(OCC(=O)OC1C4CC5C(=O)OC1C5C4)(C2)C3.CCC1(OC(=O)C(C)(F)F)C2CC3CC1CC(OCC(=O)OC1C4CC5C(=O)OC1C5C4)(C3)C2.CCC1(OC(=O)C(C)(F)F)C2CC3CC1CC(OCC(=O)OC1C4CC5C1OC(=O)C5C4C(=O)OC(C)(C)C)(C3)C2.CCC1(OC(=O)C(C)(F)F)C2CC3CC1CC(OCC(=O)OC1CCC4CC1OC4=O)(C3)C2.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.

What is the InChIKey of tert-butyl 2-[2-[[4-(2,2-difluoropropanoyloxy)-4-ethyl-1-adamantyl]oxy]acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;pentakis(diphenyliodanium);[2-ethyl-5-[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[2-ethyl-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[5-hydroxy-2-methyl-7-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-propan-2-yl-2-adamantyl] 2,2-difluoropropanoate?

The InChIKey is AEVVMGBDATURGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40F2O9.C26H34F2O7.C25H32F2O7.C24H30F2O8.C24H32F2O7.5C12H10I/c1-6-30(41-26(36)28(5,31)32)15-7-14-8-16(30)12-29(10-14,11-15)37-13-19(33)38-22-18-9-17-20(24(34)39-23(17)22)21(18)25(35)40-27(2,3)4;1-12(2)26(35-23(31)24(3,27)28)15-4-13-5-16(26)10-25(8-13,9-15)32-11-19(29)33-20-14-6-17-18(7-14)22(30)34-21(17)20;1-3-25(34-22(30)23(2,26)27)14-4-12-5-15(25)10-24(8-12,9-14)31-11-18(28)32-19-13-6-16-17(7-13)21(29)33-20(16)19;1-21(34-20(29)22(2,25)26)12-5-23(30)6-13(21)8-24(7-12,10-23)31-9-16(27)32-17-11-3-14-15(4-11)19(28)33-18(14)17;1-3-24(33-21(29)22(2,25)26)15-6-13-7-16(24)11-23(9-13,10-15)30-12-19(27)31-17-5-4-14-8-18(17)32-20(14)28;5*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h14-18,20-23H,6-13H2,1-5H3;12-18,20-21H,4-11H2,1-3H3;12-17,19-20H,3-11H2,1-2H3;11-15,17-18,30H,3-10H2,1-2H3;13-18H,3-12H2,1-2H3;5*1-10H/q;;;;;5*+1.

What are the key properties of tert-butyl 2-[2-[[4-(2,2-difluoropropanoyloxy)-4-ethyl-1-adamantyl]oxy]acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;pentakis(diphenyliodanium);[2-ethyl-5-[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[2-ethyl-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[5-hydroxy-2-methyl-7-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-propan-2-yl-2-adamantyl] 2,2-difluoropropanoate?

tert-butyl 2-[2-[[4-(2,2-difluoropropanoyloxy)-4-ethyl-1-adamantyl]oxy]acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;pentakis(diphenyliodanium);[2-ethyl-5-[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[2-ethyl-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[5-hydroxy-2-methyl-7-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-propan-2-yl-2-adamantyl] 2,2-difluoropropanoate has a molecular weight of 3922.28 g/mol, XLogP of 15.87, 45 rotatable bonds, 1 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[2-[[4-(2,2-difluoropropanoyloxy)-4-ethyl-1-adamantyl]oxy]acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;pentakis(diphenyliodanium);[2-ethyl-5-[2-oxo-2-[(7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[2-ethyl-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[5-hydroxy-2-methyl-7-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-propan-2-yl-2-adamantyl] 2,2-difluoropropanoate is sourced from PubChem (CID 157092746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).