2-[2-[2-[[9-(1-butylcyclopentyl)oxycarbonyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethoxy]acetyl]oxy-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[2-[2-[[9-(1-methylcyclopentyl)oxycarbonyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethoxy]acetyl]oxypropane-1-sulfonate;1,1-difluoro-2-[2-[2-oxo-2-[[5-oxo-9-(1-propylcyclopentyl)oxycarbonyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]ethoxy]acetyl]oxypropane-1-sulfonate;2-[2-[2-[[9-(1-ethylcyclopentyl)oxycarbonyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethoxy]acetyl]oxy-1,1-difluoropropane-1-sulfonate

C90H112F8O52S4-4 — CID 162260596

About 2-[2-[2-[[9-(1-butylcyclopentyl)oxycarbonyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethoxy]acetyl]oxy-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[2-[2-[[9-(1-methylcyclopentyl)oxycarbonyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethoxy]acetyl]oxypropane-1-sulfonate;1,1-difluoro-2-[2-[2-oxo-2-[[5-oxo-9-(1-propylcyclopentyl)oxycarbonyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]ethoxy]acetyl]oxypropane-1-sulfonate;2-[2-[2-[[9-(1-ethylcyclopentyl)oxycarbonyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethoxy]acetyl]oxy-1,1-difluoropropane-1-sulfonate

2-[2-[2-[[9-(1-butylcyclopentyl)oxycarbonyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethoxy]acetyl]oxy-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[2-[2-[[9-(1-methylcyclopentyl)oxycarbonyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethoxy]acetyl]oxypropane-1-sulfonate;1,1-difluoro-2-[2-[2-oxo-2-[[5-oxo-9-(1-propylcyclopentyl)oxycarbonyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]ethoxy]acetyl]oxypropane-1-sulfonate;2-[2-[2-[[9-(1-ethylcyclopentyl)oxycarbonyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethoxy]acetyl]oxy-1,1-difluoropropane-1-sulfonate (PubChem CID 162260596) has the molecular formula C90H112F8O52S4-4 and a molecular weight of 2306.09 g/mol. Its IUPAC name is 2-[2-[2-[[9-(1-butylcyclopentyl)oxycarbonyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethoxy]acetyl]oxy-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[2-[2-[[9-(1-methylcyclopentyl)oxycarbonyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethoxy]acetyl]oxypropane-1-sulfonate;1,1-difluoro-2-[2-[2-oxo-2-[[5-oxo-9-(1-propylcyclopentyl)oxycarbonyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]ethoxy]acetyl]oxypropane-1-sulfonate;2-[2-[2-[[9-(1-ethylcyclopentyl)oxycarbonyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethoxy]acetyl]oxy-1,1-difluoropropane-1-sulfonate.

Molecular Properties

• Compound Name: 2-[2-[2-[[9-(1-butylcyclopentyl)oxycarbonyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethoxy]acetyl]oxy-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[2-[2-[[9-(1-methylcyclopentyl)oxycarbonyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethoxy]acetyl]oxypropane-1-sulfonate;1,1-difluoro-2-[2-[2-oxo-2-[[5-oxo-9-(1-propylcyclopentyl)oxycarbonyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]ethoxy]acetyl]oxypropane-1-sulfonate;2-[2-[2-[[9-(1-ethylcyclopentyl)oxycarbonyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethoxy]acetyl]oxy-1,1-difluoropropane-1-sulfonate
• PubChem CID: 162260596
• Molecular Formula: C90H112F8O52S4-4
• Molecular Weight: 2306.09 g/mol
• Exact Mass: 2304.49
• IUPAC Name: 2-[2-[2-[[9-(1-butylcyclopentyl)oxycarbonyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethoxy]acetyl]oxy-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[2-[2-[[9-(1-methylcyclopentyl)oxycarbonyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethoxy]acetyl]oxypropane-1-sulfonate;1,1-difluoro-2-[2-[2-oxo-2-[[5-oxo-9-(1-propylcyclopentyl)oxycarbonyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]ethoxy]acetyl]oxypropane-1-sulfonate;2-[2-[2-[[9-(1-ethylcyclopentyl)oxycarbonyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethoxy]acetyl]oxy-1,1-difluoropropane-1-sulfonate
• SMILES: CC(OC(=O)COCC(=O)OC1C2OC(=O)C3C2OC1C3C(=O)OC1(C)CCCC1)C(F)(F)S(=O)(=O)[O-].CCC1(OC(=O)C2C3OC4C(OC(=O)C42)C3OC(=O)COCC(=O)OC(C)C(F)(F)S(=O)(=O)[O-])CCCC1.CCCC1(OC(=O)C2C3OC4C(OC(=O)C42)C3OC(=O)COCC(=O)OC(C)C(F)(F)S(=O)(=O)[O-])CCCC1.CCCCC1(OC(=O)C2C3OC4C(OC(=O)C42)C3OC(=O)COCC(=O)OC(C)C(F)(F)S(=O)(=O)[O-])CCCC1
• InChI: InChI=1S/C24H32F2O13S.C23H30F2O13S.C22H28F2O13S.C21H26F2O13S/c1-3-4-7-23(8-5-6-9-23)39-22(30)16-15-17-20(38-21(15)29)19(18(16)37-17)36-14(28)11-34-10-13(27)35-12(2)24(25,26)40(31,32)33;1-3-6-22(7-4-5-8-22)38-21(29)15-14-16-19(37-20(14)28)18(17(15)36-16)35-13(27)10-33-9-12(26)34-11(2)23(24,25)39(30,31)32;1-3-21(6-4-5-7-21)37-20(28)14-13-15-18(36-19(13)27)17(16(14)35-15)34-12(26)9-32-8-11(25)33-10(2)22(23,24)38(29,30)31;1-9(21(22,23)37(28,29)30)32-10(24)7-31-8-11(25)33-16-15-13(12-14(34-15)17(16)35-18(12)26)19(27)36-20(2)5-3-4-6-20/h12,15-20H,3-11H2,1-2H3,(H,31,32,33);11,14-19H,3-10H2,1-2H3,(H,30,31,32);10,13-18H,3-9H2,1-2H3,(H,29,30,31);9,12-17H,3-8H2,1-2H3,(H,28,29,30)/p-4
• InChIKey: ZZESHWYXQNBRFJ-UHFFFAOYSA-J
• XLogP: 1.54
• TPSA: 723.44 Ų
• H-Bond Acceptors: 52
• Rotatable Bonds: 46
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2306.09
LogP ≤ 5	1.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[[9-(1-butylcyclopentyl)oxycarbonyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethoxy]acetyl]oxy-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[2-[2-[[9-(1-methylcyclopentyl)oxycarbonyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethoxy]acetyl]oxypropane-1-sulfonate;1,1-difluoro-2-[2-[2-oxo-2-[[5-oxo-9-(1-propylcyclopentyl)oxycarbonyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]ethoxy]acetyl]oxypropane-1-sulfonate;2-[2-[2-[[9-(1-ethylcyclopentyl)oxycarbonyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethoxy]acetyl]oxy-1,1-difluoropropane-1-sulfonate?

The IUPAC name of 2-[2-[2-[[9-(1-butylcyclopentyl)oxycarbonyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethoxy]acetyl]oxy-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[2-[2-[[9-(1-methylcyclopentyl)oxycarbonyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethoxy]acetyl]oxypropane-1-sulfonate;1,1-difluoro-2-[2-[2-oxo-2-[[5-oxo-9-(1-propylcyclopentyl)oxycarbonyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]ethoxy]acetyl]oxypropane-1-sulfonate;2-[2-[2-[[9-(1-ethylcyclopentyl)oxycarbonyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethoxy]acetyl]oxy-1,1-difluoropropane-1-sulfonate (CID 162260596) is 2-[2-[2-[[9-(1-butylcyclopentyl)oxycarbonyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethoxy]acetyl]oxy-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[2-[2-[[9-(1-methylcyclopentyl)oxycarbonyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethoxy]acetyl]oxypropane-1-sulfonate;1,1-difluoro-2-[2-[2-oxo-2-[[5-oxo-9-(1-propylcyclopentyl)oxycarbonyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]ethoxy]acetyl]oxypropane-1-sulfonate;2-[2-[2-[[9-(1-ethylcyclopentyl)oxycarbonyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethoxy]acetyl]oxy-1,1-difluoropropane-1-sulfonate.

What is the SMILES notation for 2-[2-[2-[[9-(1-butylcyclopentyl)oxycarbonyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethoxy]acetyl]oxy-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[2-[2-[[9-(1-methylcyclopentyl)oxycarbonyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethoxy]acetyl]oxypropane-1-sulfonate;1,1-difluoro-2-[2-[2-oxo-2-[[5-oxo-9-(1-propylcyclopentyl)oxycarbonyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]ethoxy]acetyl]oxypropane-1-sulfonate;2-[2-[2-[[9-(1-ethylcyclopentyl)oxycarbonyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethoxy]acetyl]oxy-1,1-difluoropropane-1-sulfonate?

The canonical SMILES for 2-[2-[2-[[9-(1-butylcyclopentyl)oxycarbonyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethoxy]acetyl]oxy-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[2-[2-[[9-(1-methylcyclopentyl)oxycarbonyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethoxy]acetyl]oxypropane-1-sulfonate;1,1-difluoro-2-[2-[2-oxo-2-[[5-oxo-9-(1-propylcyclopentyl)oxycarbonyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]ethoxy]acetyl]oxypropane-1-sulfonate;2-[2-[2-[[9-(1-ethylcyclopentyl)oxycarbonyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethoxy]acetyl]oxy-1,1-difluoropropane-1-sulfonate is CC(OC(=O)COCC(=O)OC1C2OC(=O)C3C2OC1C3C(=O)OC1(C)CCCC1)C(F)(F)S(=O)(=O)[O-].CCC1(OC(=O)C2C3OC4C(OC(=O)C42)C3OC(=O)COCC(=O)OC(C)C(F)(F)S(=O)(=O)[O-])CCCC1.CCCC1(OC(=O)C2C3OC4C(OC(=O)C42)C3OC(=O)COCC(=O)OC(C)C(F)(F)S(=O)(=O)[O-])CCCC1.CCCCC1(OC(=O)C2C3OC4C(OC(=O)C42)C3OC(=O)COCC(=O)OC(C)C(F)(F)S(=O)(=O)[O-])CCCC1.

What is the InChIKey of 2-[2-[2-[[9-(1-butylcyclopentyl)oxycarbonyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethoxy]acetyl]oxy-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[2-[2-[[9-(1-methylcyclopentyl)oxycarbonyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethoxy]acetyl]oxypropane-1-sulfonate;1,1-difluoro-2-[2-[2-oxo-2-[[5-oxo-9-(1-propylcyclopentyl)oxycarbonyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]ethoxy]acetyl]oxypropane-1-sulfonate;2-[2-[2-[[9-(1-ethylcyclopentyl)oxycarbonyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethoxy]acetyl]oxy-1,1-difluoropropane-1-sulfonate?

The InChIKey is ZZESHWYXQNBRFJ-UHFFFAOYSA-J. The full InChI is InChI=1S/C24H32F2O13S.C23H30F2O13S.C22H28F2O13S.C21H26F2O13S/c1-3-4-7-23(8-5-6-9-23)39-22(30)16-15-17-20(38-21(15)29)19(18(16)37-17)36-14(28)11-34-10-13(27)35-12(2)24(25,26)40(31,32)33;1-3-6-22(7-4-5-8-22)38-21(29)15-14-16-19(37-20(14)28)18(17(15)36-16)35-13(27)10-33-9-12(26)34-11(2)23(24,25)39(30,31)32;1-3-21(6-4-5-7-21)37-20(28)14-13-15-18(36-19(13)27)17(16(14)35-15)34-12(26)9-32-8-11(25)33-10(2)22(23,24)38(29,30)31;1-9(21(22,23)37(28,29)30)32-10(24)7-31-8-11(25)33-16-15-13(12-14(34-15)17(16)35-18(12)26)19(27)36-20(2)5-3-4-6-20/h12,15-20H,3-11H2,1-2H3,(H,31,32,33);11,14-19H,3-10H2,1-2H3,(H,30,31,32);10,13-18H,3-9H2,1-2H3,(H,29,30,31);9,12-17H,3-8H2,1-2H3,(H,28,29,30)/p-4.

What are the key properties of 2-[2-[2-[[9-(1-butylcyclopentyl)oxycarbonyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethoxy]acetyl]oxy-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[2-[2-[[9-(1-methylcyclopentyl)oxycarbonyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethoxy]acetyl]oxypropane-1-sulfonate;1,1-difluoro-2-[2-[2-oxo-2-[[5-oxo-9-(1-propylcyclopentyl)oxycarbonyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]ethoxy]acetyl]oxypropane-1-sulfonate;2-[2-[2-[[9-(1-ethylcyclopentyl)oxycarbonyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethoxy]acetyl]oxy-1,1-difluoropropane-1-sulfonate?

2-[2-[2-[[9-(1-butylcyclopentyl)oxycarbonyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethoxy]acetyl]oxy-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[2-[2-[[9-(1-methylcyclopentyl)oxycarbonyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethoxy]acetyl]oxypropane-1-sulfonate;1,1-difluoro-2-[2-[2-oxo-2-[[5-oxo-9-(1-propylcyclopentyl)oxycarbonyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]ethoxy]acetyl]oxypropane-1-sulfonate;2-[2-[2-[[9-(1-ethylcyclopentyl)oxycarbonyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethoxy]acetyl]oxy-1,1-difluoropropane-1-sulfonate has a molecular weight of 2306.09 g/mol, XLogP of 1.54, 46 rotatable bonds, 0 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[[9-(1-butylcyclopentyl)oxycarbonyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethoxy]acetyl]oxy-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[2-[2-[[9-(1-methylcyclopentyl)oxycarbonyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethoxy]acetyl]oxypropane-1-sulfonate;1,1-difluoro-2-[2-[2-oxo-2-[[5-oxo-9-(1-propylcyclopentyl)oxycarbonyl-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]ethoxy]acetyl]oxypropane-1-sulfonate;2-[2-[2-[[9-(1-ethylcyclopentyl)oxycarbonyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl]oxy]-2-oxoethoxy]acetyl]oxy-1,1-difluoropropane-1-sulfonate is sourced from PubChem (CID 162260596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).