methane;(2-methyl-2-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2,2-dimethylpropanoate;(2-methyl-2-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2-methylpropanoate;tris([2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate);pentakis([2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate)

C166H244F20O75S10-10 — CID 165057238

About methane;(2-methyl-2-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2,2-dimethylpropanoate;(2-methyl-2-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2-methylpropanoate;tris([2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate);pentakis([2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate)

methane;(2-methyl-2-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2,2-dimethylpropanoate;(2-methyl-2-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2-methylpropanoate;tris([2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate);pentakis([2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate) (PubChem CID 165057238) has the molecular formula C166H244F20O75S10-10 and a molecular weight of 4140.33 g/mol. Its IUPAC name is methane;(2-methyl-2-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2,2-dimethylpropanoate;(2-methyl-2-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2-methylpropanoate;tris([2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate);pentakis([2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate).

Molecular Properties

• Compound Name: methane;(2-methyl-2-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2,2-dimethylpropanoate;(2-methyl-2-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2-methylpropanoate;tris([2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate);pentakis([2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate)
• PubChem CID: 165057238
• Molecular Formula: C166H244F20O75S10-10
• Molecular Weight: 4140.33 g/mol
• Exact Mass: 4137.22
• IUPAC Name: methane;(2-methyl-2-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2,2-dimethylpropanoate;(2-methyl-2-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2-methylpropanoate;tris([2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate);pentakis([2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate)
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(COC(=O)C(F)(F)SOO[O-])C(=O)OC1(C)C2CC3CC(C2)CC1C3.CC(COC(=O)C(F)(F)SOO[O-])C(=O)OC1(C)C2CC3CC(C2)CC1C3.CC1(OC(=O)COC(=O)C(F)(F)SOO[O-])C2CC3CC(C2)CC1C3.CC1(OC(=O)COC(=O)C(F)(F)SOO[O-])C2CC3CC(C2)CC1C3.CC1(OC(=O)COC(=O)C(F)(F)SOO[O-])C2CC3CC(C2)CC1C3.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-])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
• InChI: InChI=1S/C18H26F2O7S.C17H24F2O7S.3C15H20F2O7S.5C14H16F2O8S.16CH4/c1-16(2,9-24-15(22)18(19,20)28-27-26-23)14(21)25-17(3)12-5-10-4-11(7-12)8-13(17)6-10;1-9(8-23-15(21)17(18,19)27-26-25-22)14(20)24-16(2)12-4-10-3-11(6-12)7-13(16)5-10;3*1-14(10-3-8-2-9(5-10)6-11(14)4-8)22-12(18)7-21-13(19)15(16,17)25-24-23-20;5*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;;;;;;;;;;;;;;;;/h10-13,23H,4-9H2,1-3H3;9-13,22H,3-8H2,1-2H3;3*8-11,20H,2-7H2,1H3;5*7-9,20H,1-6H2;16*1H4/p-10
• InChIKey: QPXXOUVYGCRTCD-UHFFFAOYSA-D
• XLogP: 24.03
• TPSA: 1026.55 Ų
• H-Bond Acceptors: 85
• Rotatable Bonds: 72
• Heavy Atoms: 271
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4140.33
LogP ≤ 5	24.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	85

Frequently Asked Questions

What is the IUPAC name of methane;(2-methyl-2-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2,2-dimethylpropanoate;(2-methyl-2-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2-methylpropanoate;tris([2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate);pentakis([2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate)?

The IUPAC name of methane;(2-methyl-2-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2,2-dimethylpropanoate;(2-methyl-2-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2-methylpropanoate;tris([2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate);pentakis([2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate) (CID 165057238) is methane;(2-methyl-2-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2,2-dimethylpropanoate;(2-methyl-2-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2-methylpropanoate;tris([2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate);pentakis([2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate).

What is the SMILES notation for methane;(2-methyl-2-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2,2-dimethylpropanoate;(2-methyl-2-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2-methylpropanoate;tris([2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate);pentakis([2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate)?

The canonical SMILES for methane;(2-methyl-2-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2,2-dimethylpropanoate;(2-methyl-2-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2-methylpropanoate;tris([2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate);pentakis([2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate) is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(COC(=O)C(F)(F)SOO[O-])C(=O)OC1(C)C2CC3CC(C2)CC1C3.CC(COC(=O)C(F)(F)SOO[O-])C(=O)OC1(C)C2CC3CC(C2)CC1C3.CC1(OC(=O)COC(=O)C(F)(F)SOO[O-])C2CC3CC(C2)CC1C3.CC1(OC(=O)COC(=O)C(F)(F)SOO[O-])C2CC3CC(C2)CC1C3.CC1(OC(=O)COC(=O)C(F)(F)SOO[O-])C2CC3CC(C2)CC1C3.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-])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.

What is the InChIKey of methane;(2-methyl-2-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2,2-dimethylpropanoate;(2-methyl-2-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2-methylpropanoate;tris([2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate);pentakis([2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate)?

The InChIKey is QPXXOUVYGCRTCD-UHFFFAOYSA-D. The full InChI is InChI=1S/C18H26F2O7S.C17H24F2O7S.3C15H20F2O7S.5C14H16F2O8S.16CH4/c1-16(2,9-24-15(22)18(19,20)28-27-26-23)14(21)25-17(3)12-5-10-4-11(7-12)8-13(17)6-10;1-9(8-23-15(21)17(18,19)27-26-25-22)14(20)24-16(2)12-4-10-3-11(6-12)7-13(16)5-10;3*1-14(10-3-8-2-9(5-10)6-11(14)4-8)22-12(18)7-21-13(19)15(16,17)25-24-23-20;5*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;;;;;;;;;;;;;;;;/h10-13,23H,4-9H2,1-3H3;9-13,22H,3-8H2,1-2H3;3*8-11,20H,2-7H2,1H3;5*7-9,20H,1-6H2;16*1H4/p-10.

What are the key properties of methane;(2-methyl-2-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2,2-dimethylpropanoate;(2-methyl-2-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2-methylpropanoate;tris([2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate);pentakis([2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate)?

methane;(2-methyl-2-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2,2-dimethylpropanoate;(2-methyl-2-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2-methylpropanoate;tris([2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate);pentakis([2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate) has a molecular weight of 4140.33 g/mol, XLogP of 24.03, 72 rotatable bonds, 0 hydrogen bond donors, and 85 hydrogen bond acceptors.

Where does this data come from?

All data for methane;(2-methyl-2-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2,2-dimethylpropanoate;(2-methyl-2-adamantyl) 3-(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxy-2-methylpropanoate;tris([2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate);pentakis([2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate) is sourced from PubChem (CID 165057238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).