(8,8-dimethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(9,9-dimethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[9-(hydroxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(9-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate

C79H81F14O51S7-7 — CID 161356938

About (8,8-dimethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(9,9-dimethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[9-(hydroxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(9-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate

(8,8-dimethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(9,9-dimethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[9-(hydroxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(9-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate (PubChem CID 161356938) has the molecular formula C79H81F14O51S7-7 and a molecular weight of 2336.91 g/mol. Its IUPAC name is (8,8-dimethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(9,9-dimethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[9-(hydroxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(9-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate.

Molecular Properties

• Compound Name: (8,8-dimethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(9,9-dimethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[9-(hydroxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(9-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate
• PubChem CID: 161356938
• Molecular Formula: C79H81F14O51S7-7
• Molecular Weight: 2336.91 g/mol
• Exact Mass: 2335.16
• IUPAC Name: (8,8-dimethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(9,9-dimethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[9-(hydroxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(9-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate
• SMILES: CC1(C)C2CC3C(=O)OC(C2OC(=O)C(F)(F)SOO[O-])C31.CC1(C)C2CC3C(OC(=O)C31)C2OC(=O)C(F)(F)SOO[O-].CC1(OC(=O)C(F)(F)SOO[O-])C2CC3C(=O)OC1C3C2.CC12CC3C(=O)OC(C3C1)C2OC(=O)C(F)(F)SOO[O-].O=C1OC2C(COC(=O)C(F)(F)SOO[O-])C3CC1C2C3.O=C1OC2C(COC(=O)C(F)(F)SOO[O-])C3CC2C1C3O.O=C1OC2C3CC(C(CO)C13)C2OC(=O)C(F)(F)SOO[O-]
• InChI: InChI=1S/2C12H14F2O7S.2C11H12F2O8S.3C11H12F2O7S/c1-11(2)5-3-4-6(11)8(18-9(4)15)7(5)19-10(16)12(13,14)22-21-20-17;1-11(2)5-3-4-6(11)9(15)18-7(4)8(5)19-10(16)12(13,14)22-21-20-17;12-11(13,22-21-20-17)10(16)18-2-5-3-1-4-6(7(3)14)9(15)19-8(4)5;12-11(13,22-21-20-17)10(16)19-7-3-1-4-6(5(3)2-14)9(15)18-8(4)7;1-10-2-4-5(3-10)8(14)17-6(4)7(10)18-9(15)11(12,13)21-20-19-16;1-10(18-9(15)11(12,13)21-20-19-16)4-2-5-6(3-4)8(14)17-7(5)10;12-11(13,21-20-19-16)10(15)17-3-7-4-1-5-6(2-4)9(14)18-8(5)7/h2*4-8,17H,3H2,1-2H3;2*3-8,14,17H,1-2H2;2*4-7,16H,2-3H2,1H3;4-8,16H,1-3H2/p-7
• InChIKey: VORAXTFKAALLBH-UHFFFAOYSA-G
• XLogP: 0.35
• TPSA: 699.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 58
• Rotatable Bonds: 38
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2336.91
LogP ≤ 5	0.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	58

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (8,8-dimethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(9,9-dimethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[9-(hydroxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(9-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate?

The IUPAC name of (8,8-dimethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(9,9-dimethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[9-(hydroxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(9-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate (CID 161356938) is (8,8-dimethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(9,9-dimethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[9-(hydroxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(9-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate.

What is the SMILES notation for (8,8-dimethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(9,9-dimethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[9-(hydroxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(9-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate?

The canonical SMILES for (8,8-dimethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(9,9-dimethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[9-(hydroxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(9-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate is CC1(C)C2CC3C(=O)OC(C2OC(=O)C(F)(F)SOO[O-])C31.CC1(C)C2CC3C(OC(=O)C31)C2OC(=O)C(F)(F)SOO[O-].CC1(OC(=O)C(F)(F)SOO[O-])C2CC3C(=O)OC1C3C2.CC12CC3C(=O)OC(C3C1)C2OC(=O)C(F)(F)SOO[O-].O=C1OC2C(COC(=O)C(F)(F)SOO[O-])C3CC1C2C3.O=C1OC2C(COC(=O)C(F)(F)SOO[O-])C3CC2C1C3O.O=C1OC2C3CC(C(CO)C13)C2OC(=O)C(F)(F)SOO[O-].

What is the InChIKey of (8,8-dimethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(9,9-dimethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[9-(hydroxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(9-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate?

The InChIKey is VORAXTFKAALLBH-UHFFFAOYSA-G. The full InChI is InChI=1S/2C12H14F2O7S.2C11H12F2O8S.3C11H12F2O7S/c1-11(2)5-3-4-6(11)8(18-9(4)15)7(5)19-10(16)12(13,14)22-21-20-17;1-11(2)5-3-4-6(11)9(15)18-7(4)8(5)19-10(16)12(13,14)22-21-20-17;12-11(13,22-21-20-17)10(16)18-2-5-3-1-4-6(7(3)14)9(15)19-8(4)5;12-11(13,22-21-20-17)10(16)19-7-3-1-4-6(5(3)2-14)9(15)18-8(4)7;1-10-2-4-5(3-10)8(14)17-6(4)7(10)18-9(15)11(12,13)21-20-19-16;1-10(18-9(15)11(12,13)21-20-19-16)4-2-5-6(3-4)8(14)17-7(5)10;12-11(13,21-20-19-16)10(15)17-3-7-4-1-5-6(2-4)9(14)18-8(5)7/h2*4-8,17H,3H2,1-2H3;2*3-8,14,17H,1-2H2;2*4-7,16H,2-3H2,1H3;4-8,16H,1-3H2/p-7.

What are the key properties of (8,8-dimethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(9,9-dimethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[9-(hydroxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(9-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate?

(8,8-dimethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(9,9-dimethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[9-(hydroxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(9-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate has a molecular weight of 2336.91 g/mol, XLogP of 0.35, 38 rotatable bonds, 2 hydrogen bond donors, and 58 hydrogen bond acceptors.

Where does this data come from?

All data for (8,8-dimethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(9,9-dimethyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;[9-(hydroxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl] 2,2-difluoro-2-oxidoperoxysulfanylacetate;(9-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;(1-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2,2-difluoro-2-oxidoperoxysulfanylacetate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate is sourced from PubChem (CID 161356938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).