(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;bis((2-methyl-2-adamantyl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate);(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;(2-oxooxolan-3-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;heptakis(triphenylsulfanium)

C229H225F14O42S9+7 — CID 159553000

About (5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;bis((2-methyl-2-adamantyl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate);(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;(2-oxooxolan-3-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;heptakis(triphenylsulfanium)

(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;bis((2-methyl-2-adamantyl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate);(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;(2-oxooxolan-3-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;heptakis(triphenylsulfanium) (PubChem CID 159553000) has the molecular formula C229H225F14O42S9+7 and a molecular weight of 4203.85 g/mol. Its IUPAC name is (5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;bis((2-methyl-2-adamantyl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate);(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;(2-oxooxolan-3-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;heptakis(triphenylsulfanium).

Molecular Properties

• Compound Name: (5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;bis((2-methyl-2-adamantyl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate);(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;(2-oxooxolan-3-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;heptakis(triphenylsulfanium)
• PubChem CID: 159553000
• Molecular Formula: C229H225F14O42S9+7
• Molecular Weight: 4203.85 g/mol
• Exact Mass: 4200.27
• IUPAC Name: (5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;bis((2-methyl-2-adamantyl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate);(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;(2-oxooxolan-3-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;heptakis(triphenylsulfanium)
• SMILES: C=C(COC(=O)C(C)(F)F)C(=O)OC1(C)C2CC3CC(C2)CC1C3.C=C(COC(=O)C(C)(F)F)C(=O)OC1(C)C2CC3CC(C2)CC1C3.C=C(COC(=O)C(C)(F)F)C(=O)OC1C2CC3C(=O)OC1C3C2.C=C(COC(=O)C(C)(F)F)C(=O)OC1C2CC3C(=O)OC1C3O2.C=C(COC(=O)C(C)(F)F)C(=O)OC1C2CC3C(O2)C1OS3(=O)=O.C=C(COC(=O)C(C)(F)F)C(=O)OC1C2CC3C1OS(=O)(=O)C3C2.C=C(COC(=O)C(C)(F)F)C(=O)OC1CCOC1=O.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.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/2C18H24F2O4.7C18H15S.C15H16F2O6.C14H16F2O7S.C14H14F2O7.C13H14F2O8S.C11H12F2O6/c2*1-10(9-23-16(22)18(3,19)20)15(21)24-17(2)13-5-11-4-12(7-13)8-14(17)6-11;7*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6(5-21-14(20)15(2,16)17)12(18)22-10-7-3-8-9(4-7)13(19)23-11(8)10;1-6(5-21-13(18)14(2,15)16)12(17)22-10-7-3-8-9(4-7)24(19,20)23-11(8)10;1-5(4-20-13(19)14(2,15)16)11(17)22-9-7-3-6-8(21-7)10(9)23-12(6)18;1-5(4-20-12(17)13(2,14)15)11(16)22-8-6-3-7-9(21-6)10(8)23-24(7,18)19;1-6(5-18-10(16)11(2,12)13)8(14)19-7-3-4-17-9(7)15/h2*11-14H,1,4-9H2,2-3H3;7*1-15H;7-11H,1,3-5H2,2H3;7-11H,1,3-5H2,2H3;6-10H,1,3-4H2,2H3;6-10H,1,3-4H2,2H3;7H,1,3-5H2,2H3/q;;7*+1
• InChIKey: MFQCQHJZQJPXEC-UHFFFAOYSA-N
• XLogP: 43.38
• TPSA: 552.30 Ų
• H-Bond Acceptors: 42
• Rotatable Bonds: 56
• Heavy Atoms: 294
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4203.85
LogP ≤ 5	43.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of (5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;bis((2-methyl-2-adamantyl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate);(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;(2-oxooxolan-3-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;heptakis(triphenylsulfanium)?

The IUPAC name of (5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;bis((2-methyl-2-adamantyl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate);(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;(2-oxooxolan-3-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;heptakis(triphenylsulfanium) (CID 159553000) is (5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;bis((2-methyl-2-adamantyl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate);(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;(2-oxooxolan-3-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;heptakis(triphenylsulfanium).

What is the SMILES notation for (5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;bis((2-methyl-2-adamantyl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate);(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;(2-oxooxolan-3-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;heptakis(triphenylsulfanium)?

The canonical SMILES for (5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;bis((2-methyl-2-adamantyl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate);(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;(2-oxooxolan-3-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;heptakis(triphenylsulfanium) is C=C(COC(=O)C(C)(F)F)C(=O)OC1(C)C2CC3CC(C2)CC1C3.C=C(COC(=O)C(C)(F)F)C(=O)OC1(C)C2CC3CC(C2)CC1C3.C=C(COC(=O)C(C)(F)F)C(=O)OC1C2CC3C(=O)OC1C3C2.C=C(COC(=O)C(C)(F)F)C(=O)OC1C2CC3C(=O)OC1C3O2.C=C(COC(=O)C(C)(F)F)C(=O)OC1C2CC3C(O2)C1OS3(=O)=O.C=C(COC(=O)C(C)(F)F)C(=O)OC1C2CC3C1OS(=O)(=O)C3C2.C=C(COC(=O)C(C)(F)F)C(=O)OC1CCOC1=O.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.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of (5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;bis((2-methyl-2-adamantyl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate);(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;(2-oxooxolan-3-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;heptakis(triphenylsulfanium)?

The InChIKey is MFQCQHJZQJPXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H24F2O4.7C18H15S.C15H16F2O6.C14H16F2O7S.C14H14F2O7.C13H14F2O8S.C11H12F2O6/c2*1-10(9-23-16(22)18(3,19)20)15(21)24-17(2)13-5-11-4-12(7-13)8-14(17)6-11;7*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6(5-21-14(20)15(2,16)17)12(18)22-10-7-3-8-9(4-7)13(19)23-11(8)10;1-6(5-21-13(18)14(2,15)16)12(17)22-10-7-3-8-9(4-7)24(19,20)23-11(8)10;1-5(4-20-13(19)14(2,15)16)11(17)22-9-7-3-6-8(21-7)10(9)23-12(6)18;1-5(4-20-12(17)13(2,14)15)11(16)22-8-6-3-7-9(21-6)10(8)23-24(7,18)19;1-6(5-18-10(16)11(2,12)13)8(14)19-7-3-4-17-9(7)15/h2*11-14H,1,4-9H2,2-3H3;7*1-15H;7-11H,1,3-5H2,2H3;7-11H,1,3-5H2,2H3;6-10H,1,3-4H2,2H3;6-10H,1,3-4H2,2H3;7H,1,3-5H2,2H3/q;;7*+1;;;;;.

What are the key properties of (5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;bis((2-methyl-2-adamantyl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate);(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;(2-oxooxolan-3-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;heptakis(triphenylsulfanium)?

(5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;bis((2-methyl-2-adamantyl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate);(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;(2-oxooxolan-3-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;heptakis(triphenylsulfanium) has a molecular weight of 4203.85 g/mol, XLogP of 43.38, 56 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for (5,5-dioxo-4,8-dioxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;bis((2-methyl-2-adamantyl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate);(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;(2-oxooxolan-3-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate;heptakis(triphenylsulfanium) is sourced from PubChem (CID 159553000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).