bis(2-adamantyloxymethyl 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate);(2-ethyl-2-adamantyl) 2-(2,2-difluoropropanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;methoxymethyl 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;pentakis(triphenylsulfanium);tris(4-methylphenyl)sulfanium

C234H262F12O29S6+6 — CID 159765954

About bis(2-adamantyloxymethyl 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate);(2-ethyl-2-adamantyl) 2-(2,2-difluoropropanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;methoxymethyl 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;pentakis(triphenylsulfanium);tris(4-methylphenyl)sulfanium

bis(2-adamantyloxymethyl 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate);(2-ethyl-2-adamantyl) 2-(2,2-difluoropropanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;methoxymethyl 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;pentakis(triphenylsulfanium);tris(4-methylphenyl)sulfanium (PubChem CID 159765954) has the molecular formula C234H262F12O29S6+6 and a molecular weight of 3959.02 g/mol. Its IUPAC name is bis(2-adamantyloxymethyl 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate);(2-ethyl-2-adamantyl) 2-(2,2-difluoropropanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;methoxymethyl 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;pentakis(triphenylsulfanium);tris(4-methylphenyl)sulfanium.

Molecular Properties

• Compound Name: bis(2-adamantyloxymethyl 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate);(2-ethyl-2-adamantyl) 2-(2,2-difluoropropanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;methoxymethyl 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;pentakis(triphenylsulfanium);tris(4-methylphenyl)sulfanium
• PubChem CID: 159765954
• Molecular Formula: C234H262F12O29S6+6
• Molecular Weight: 3959.02 g/mol
• Exact Mass: 3955.71
• IUPAC Name: bis(2-adamantyloxymethyl 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate);(2-ethyl-2-adamantyl) 2-(2,2-difluoropropanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;methoxymethyl 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;pentakis(triphenylsulfanium);tris(4-methylphenyl)sulfanium
• SMILES: CC(F)(F)C(=O)OC1C2CC3CC1CC(C(=O)OCOC1C4CC5CC(C4)CC1C5)(C3)C2.CC(F)(F)C(=O)OC1C2CC3CC1CC(C(=O)OCOC1C4CC5CC(C4)CC1C5)(C3)C2.CC(F)(F)C(=O)OCC(=O)OC1(C)C2CC3CC(C2)CC1C3.CCC1(OC(=O)C2C3CC4C(OC(=O)C42)C3OC(=O)C(C)(F)F)C2CC3CC(C2)CC1C3.CCC1(OC(=O)COC(=O)C(C)(F)F)C2CC3CC(C2)CC1C3.COCOC(=O)C12CC3CC(C1)C(OC(=O)C(C)(F)F)C(C3)C2.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/2C25H34F2O5.C24H30F2O6.C21H21S.5C18H15S.C17H24F2O4.C16H22F2O5.C16H22F2O4/c2*1-24(26,27)22(28)32-21-18-7-15-8-19(21)11-25(9-15,10-18)23(29)31-12-30-20-16-3-13-2-14(5-16)6-17(20)4-13;1-3-24(12-5-10-4-11(7-12)8-13(24)6-10)32-21(28)17-15-9-14-16(17)20(27)30-18(14)19(15)31-22(29)23(2,25)26;1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;5*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-17(23-14(20)9-22-15(21)16(2,18)19)12-5-10-4-11(7-12)8-13(17)6-10;1-15(17,18)13(19)23-12-10-3-9-4-11(12)7-16(5-9,6-10)14(20)22-8-21-2;1-15(22-13(19)8-21-14(20)16(2,17)18)11-4-9-3-10(6-11)7-12(15)5-9/h2*13-21H,2-12H2,1H3;10-19H,3-9H2,1-2H3;4-15H,1-3H3;5*1-15H;10-13H,3-9H2,1-2H3;9-12H,3-8H2,1-2H3;9-12H,3-8H2,1-2H3/q;;;6*+1
• InChIKey: NFMQTJHJBOMEHX-UHFFFAOYSA-N
• XLogP: 51.37
• TPSA: 369.59 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 49
• Heavy Atoms: 281
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3959.02
LogP ≤ 5	51.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of bis(2-adamantyloxymethyl 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate);(2-ethyl-2-adamantyl) 2-(2,2-difluoropropanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;methoxymethyl 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;pentakis(triphenylsulfanium);tris(4-methylphenyl)sulfanium?

The IUPAC name of bis(2-adamantyloxymethyl 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate);(2-ethyl-2-adamantyl) 2-(2,2-difluoropropanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;methoxymethyl 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;pentakis(triphenylsulfanium);tris(4-methylphenyl)sulfanium (CID 159765954) is bis(2-adamantyloxymethyl 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate);(2-ethyl-2-adamantyl) 2-(2,2-difluoropropanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;methoxymethyl 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;pentakis(triphenylsulfanium);tris(4-methylphenyl)sulfanium.

What is the SMILES notation for bis(2-adamantyloxymethyl 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate);(2-ethyl-2-adamantyl) 2-(2,2-difluoropropanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;methoxymethyl 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;pentakis(triphenylsulfanium);tris(4-methylphenyl)sulfanium?

The canonical SMILES for bis(2-adamantyloxymethyl 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate);(2-ethyl-2-adamantyl) 2-(2,2-difluoropropanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;methoxymethyl 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;pentakis(triphenylsulfanium);tris(4-methylphenyl)sulfanium is CC(F)(F)C(=O)OC1C2CC3CC1CC(C(=O)OCOC1C4CC5CC(C4)CC1C5)(C3)C2.CC(F)(F)C(=O)OC1C2CC3CC1CC(C(=O)OCOC1C4CC5CC(C4)CC1C5)(C3)C2.CC(F)(F)C(=O)OCC(=O)OC1(C)C2CC3CC(C2)CC1C3.CCC1(OC(=O)C2C3CC4C(OC(=O)C42)C3OC(=O)C(C)(F)F)C2CC3CC(C2)CC1C3.CCC1(OC(=O)COC(=O)C(C)(F)F)C2CC3CC(C2)CC1C3.COCOC(=O)C12CC3CC(C1)C(OC(=O)C(C)(F)F)C(C3)C2.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of bis(2-adamantyloxymethyl 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate);(2-ethyl-2-adamantyl) 2-(2,2-difluoropropanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;methoxymethyl 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;pentakis(triphenylsulfanium);tris(4-methylphenyl)sulfanium?

The InChIKey is NFMQTJHJBOMEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H34F2O5.C24H30F2O6.C21H21S.5C18H15S.C17H24F2O4.C16H22F2O5.C16H22F2O4/c2*1-24(26,27)22(28)32-21-18-7-15-8-19(21)11-25(9-15,10-18)23(29)31-12-30-20-16-3-13-2-14(5-16)6-17(20)4-13;1-3-24(12-5-10-4-11(7-12)8-13(24)6-10)32-21(28)17-15-9-14-16(17)20(27)30-18(14)19(15)31-22(29)23(2,25)26;1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;5*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-17(23-14(20)9-22-15(21)16(2,18)19)12-5-10-4-11(7-12)8-13(17)6-10;1-15(17,18)13(19)23-12-10-3-9-4-11(12)7-16(5-9,6-10)14(20)22-8-21-2;1-15(22-13(19)8-21-14(20)16(2,17)18)11-4-9-3-10(6-11)7-12(15)5-9/h2*13-21H,2-12H2,1H3;10-19H,3-9H2,1-2H3;4-15H,1-3H3;5*1-15H;10-13H,3-9H2,1-2H3;9-12H,3-8H2,1-2H3;9-12H,3-8H2,1-2H3/q;;;6*+1;;;.

What are the key properties of bis(2-adamantyloxymethyl 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate);(2-ethyl-2-adamantyl) 2-(2,2-difluoropropanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;methoxymethyl 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;pentakis(triphenylsulfanium);tris(4-methylphenyl)sulfanium?

bis(2-adamantyloxymethyl 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate);(2-ethyl-2-adamantyl) 2-(2,2-difluoropropanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;methoxymethyl 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;pentakis(triphenylsulfanium);tris(4-methylphenyl)sulfanium has a molecular weight of 3959.02 g/mol, XLogP of 51.37, 49 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-adamantyloxymethyl 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate);(2-ethyl-2-adamantyl) 2-(2,2-difluoropropanoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;methoxymethyl 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethyl] 2,2-difluoropropanoate;pentakis(triphenylsulfanium);tris(4-methylphenyl)sulfanium is sourced from PubChem (CID 159765954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).