[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;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;[2-[[3-hydroxy-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl]oxy]-2-oxoethyl] 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

C97H120F8O37 — CID 158867642

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;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;[2-[[3-hydroxy-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl]oxy]-2-oxoethyl] 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

[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;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;[2-[[3-hydroxy-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl]oxy]-2-oxoethyl] 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 (PubChem CID 158867642) has the molecular formula C97H120F8O37 and a molecular weight of 2029.97 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;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;[2-[[3-hydroxy-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl]oxy]-2-oxoethyl] 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.

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;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;[2-[[3-hydroxy-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl]oxy]-2-oxoethyl] 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
• PubChem CID: 158867642
• Molecular Formula: C97H120F8O37
• Molecular Weight: 2029.97 g/mol
• Exact Mass: 2028.74
• 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;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;[2-[[3-hydroxy-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl]oxy]-2-oxoethyl] 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
• 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)OCCOC4C5CC6C(=O)OC4C6C5)(C3)C1)C2.CC(F)(F)C(=O)OCC(=O)OC12CC3CC(O)(CC(OCC(=O)OC4C5CC6C(=O)OC4C6C5)(C3)C1)C2.CC(F)(F)C(=O)OCCOC12CC3CC(O)(C1)CC(OCC(=O)OC1C4CC5C(=O)OC1C5C4)(C3)C2
• InChI: InChI=1S/C25H30F2O10.2C25H32F2O9.C22H26F2O9/c1-22(26,27)21(31)33-7-17(29)37-25-6-12-4-23(32,10-25)9-24(5-12,11-25)34-8-16(28)35-18-13-2-14-15(3-13)20(30)36-19(14)18;1-22(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/h12-15,18-19,32H,2-11H2,1H3;2*13-16,18-19,31H,2-12H2,1H3;10-12,14-16,28H,2-9H2,1H3
• InChIKey: JBLDDOMKBFLBIK-UHFFFAOYSA-N
• XLogP: 6.31
• TPSA: 487.43 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 37
• Rotatable Bonds: 32
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2029.97
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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;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;[2-[[3-hydroxy-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl]oxy]-2-oxoethyl] 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?

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;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;[2-[[3-hydroxy-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl]oxy]-2-oxoethyl] 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 (CID 158867642) 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;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;[2-[[3-hydroxy-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl]oxy]-2-oxoethyl] 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.

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;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;[2-[[3-hydroxy-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl]oxy]-2-oxoethyl] 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?

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;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;[2-[[3-hydroxy-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl]oxy]-2-oxoethyl] 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 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)OCCOC4C5CC6C(=O)OC4C6C5)(C3)C1)C2.CC(F)(F)C(=O)OCC(=O)OC12CC3CC(O)(CC(OCC(=O)OC4C5CC6C(=O)OC4C6C5)(C3)C1)C2.CC(F)(F)C(=O)OCCOC12CC3CC(O)(C1)CC(OCC(=O)OC1C4CC5C(=O)OC1C5C4)(C3)C2.

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;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;[2-[[3-hydroxy-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl]oxy]-2-oxoethyl] 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?

The InChIKey is JBLDDOMKBFLBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2O10.2C25H32F2O9.C22H26F2O9/c1-22(26,27)21(31)33-7-17(29)37-25-6-12-4-23(32,10-25)9-24(5-12,11-25)34-8-16(28)35-18-13-2-14-15(3-13)20(30)36-19(14)18;1-22(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/h12-15,18-19,32H,2-11H2,1H3;2*13-16,18-19,31H,2-12H2,1H3;10-12,14-16,28H,2-9H2,1H3.

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;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;[2-[[3-hydroxy-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl]oxy]-2-oxoethyl] 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?

[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;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;[2-[[3-hydroxy-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl]oxy]-2-oxoethyl] 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 has a molecular weight of 2029.97 g/mol, XLogP of 6.31, 32 rotatable bonds, 4 hydrogen bond donors, and 37 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;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;[2-[[3-hydroxy-5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl]oxy]-2-oxoethyl] 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 is sourced from PubChem (CID 158867642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).