methane;(4-oxo-1-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2,2-dimethylpropanoate;(4-oxo-1-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2-methylpropanoate;bis([2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate);tetrakis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate)

C121H162F16O68S8-8 — CID 160904686

About methane;(4-oxo-1-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2,2-dimethylpropanoate;(4-oxo-1-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2-methylpropanoate;bis([2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate);tetrakis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate)

methane;(4-oxo-1-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2,2-dimethylpropanoate;(4-oxo-1-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2-methylpropanoate;bis([2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate);tetrakis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate) (PubChem CID 160904686) has the molecular formula C121H162F16O68S8-8 and a molecular weight of 3265.06 g/mol. Its IUPAC name is methane;(4-oxo-1-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2,2-dimethylpropanoate;(4-oxo-1-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2-methylpropanoate;bis([2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate);tetrakis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate).

Molecular Properties

• Compound Name: methane;(4-oxo-1-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2,2-dimethylpropanoate;(4-oxo-1-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2-methylpropanoate;bis([2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate);tetrakis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate)
• PubChem CID: 160904686
• Molecular Formula: C121H162F16O68S8-8
• Molecular Weight: 3265.06 g/mol
• Exact Mass: 3262.68
• IUPAC Name: methane;(4-oxo-1-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2,2-dimethylpropanoate;(4-oxo-1-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2-methylpropanoate;bis([2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate);tetrakis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate)
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(COC(=O)C(F)(F)SOO[O-])C(=O)OC12CC3CC(C1)C(=O)C(C3)C2.CC(COC(=O)C(F)(F)SOO[O-])C(=O)OC12CC3CC(C1)C(=O)C(C3)C2.O=C(COC(=O)C(F)(F)SOO[O-])OC12CC3CC(C1)C(=O)C(C3)C2.O=C(COC(=O)C(F)(F)SOO[O-])OC12CC3CC(C1)C(=O)C(C3)C2.O=C(COC(=O)C(F)(F)SOO[O-])OC1C2CC3C(=O)OC1C3C2.O=C(COC(=O)C(F)(F)SOO[O-])OC1C2CC3C(=O)OC1C3C2.O=C(COC(=O)C(F)(F)SOO[O-])OC1C2CC3C(=O)OC1C3C2.O=C(COC(=O)C(F)(F)SOO[O-])OC1C2CC3C(=O)OC1C3C2
• InChI: InChI=1S/C17H22F2O8S.C16H20F2O8S.2C14H16F2O8S.4C12H12F2O9S.12CH4/c1-15(2,8-24-14(22)17(18,19)28-27-26-23)13(21)25-16-5-9-3-10(6-16)12(20)11(4-9)7-16;1-8(7-23-14(21)16(17,18)27-26-25-22)13(20)24-15-4-9-2-10(5-15)12(19)11(3-9)6-15;2*15-14(16,25-24-23-20)12(19)21-6-10(17)22-13-3-7-1-8(4-13)11(18)9(2-7)5-13;4*13-12(14,24-23-22-18)11(17)19-3-7(15)20-8-4-1-5-6(2-4)10(16)21-9(5)8;;;;;;;;;;;;/h9-11,23H,3-8H2,1-2H3;8-11,22H,2-7H2,1H3;2*7-9,20H,1-6H2;4*4-6,8-9,18H,1-3H2;12*1H4/p-8
• InChIKey: SPZCQWHWNOXLMY-UHFFFAOYSA-F
• XLogP: 9.99
• TPSA: 926.44 Ų
• H-Bond Acceptors: 76
• Rotatable Bonds: 58
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3265.06
LogP ≤ 5	9.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	76

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 methane;(4-oxo-1-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2,2-dimethylpropanoate;(4-oxo-1-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2-methylpropanoate;bis([2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate);tetrakis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate)?

The IUPAC name of methane;(4-oxo-1-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2,2-dimethylpropanoate;(4-oxo-1-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2-methylpropanoate;bis([2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate);tetrakis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate) (CID 160904686) is methane;(4-oxo-1-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2,2-dimethylpropanoate;(4-oxo-1-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2-methylpropanoate;bis([2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate);tetrakis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate).

What is the SMILES notation for methane;(4-oxo-1-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2,2-dimethylpropanoate;(4-oxo-1-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2-methylpropanoate;bis([2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate);tetrakis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate)?

The canonical SMILES for methane;(4-oxo-1-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2,2-dimethylpropanoate;(4-oxo-1-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2-methylpropanoate;bis([2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate);tetrakis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate) is C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(COC(=O)C(F)(F)SOO[O-])C(=O)OC12CC3CC(C1)C(=O)C(C3)C2.CC(COC(=O)C(F)(F)SOO[O-])C(=O)OC12CC3CC(C1)C(=O)C(C3)C2.O=C(COC(=O)C(F)(F)SOO[O-])OC12CC3CC(C1)C(=O)C(C3)C2.O=C(COC(=O)C(F)(F)SOO[O-])OC12CC3CC(C1)C(=O)C(C3)C2.O=C(COC(=O)C(F)(F)SOO[O-])OC1C2CC3C(=O)OC1C3C2.O=C(COC(=O)C(F)(F)SOO[O-])OC1C2CC3C(=O)OC1C3C2.O=C(COC(=O)C(F)(F)SOO[O-])OC1C2CC3C(=O)OC1C3C2.O=C(COC(=O)C(F)(F)SOO[O-])OC1C2CC3C(=O)OC1C3C2.

What is the InChIKey of methane;(4-oxo-1-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2,2-dimethylpropanoate;(4-oxo-1-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2-methylpropanoate;bis([2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate);tetrakis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate)?

The InChIKey is SPZCQWHWNOXLMY-UHFFFAOYSA-F. The full InChI is InChI=1S/C17H22F2O8S.C16H20F2O8S.2C14H16F2O8S.4C12H12F2O9S.12CH4/c1-15(2,8-24-14(22)17(18,19)28-27-26-23)13(21)25-16-5-9-3-10(6-16)12(20)11(4-9)7-16;1-8(7-23-14(21)16(17,18)27-26-25-22)13(20)24-15-4-9-2-10(5-15)12(19)11(3-9)6-15;2*15-14(16,25-24-23-20)12(19)21-6-10(17)22-13-3-7-1-8(4-13)11(18)9(2-7)5-13;4*13-12(14,24-23-22-18)11(17)19-3-7(15)20-8-4-1-5-6(2-4)10(16)21-9(5)8;;;;;;;;;;;;/h9-11,23H,3-8H2,1-2H3;8-11,22H,2-7H2,1H3;2*7-9,20H,1-6H2;4*4-6,8-9,18H,1-3H2;12*1H4/p-8.

What are the key properties of methane;(4-oxo-1-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2,2-dimethylpropanoate;(4-oxo-1-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2-methylpropanoate;bis([2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate);tetrakis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate)?

methane;(4-oxo-1-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2,2-dimethylpropanoate;(4-oxo-1-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2-methylpropanoate;bis([2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate);tetrakis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate) has a molecular weight of 3265.06 g/mol, XLogP of 9.99, 58 rotatable bonds, 0 hydrogen bond donors, and 76 hydrogen bond acceptors.

Where does this data come from?

All data for methane;(4-oxo-1-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2,2-dimethylpropanoate;(4-oxo-1-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2-methylpropanoate;bis([2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate);tetrakis([2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate) is sourced from PubChem (CID 160904686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).