[1'-(2,2-difluoropropanoyloxy)-5-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-5-yl]methyl 3-hydroxyadamantane-1-carboxylate;[1'-(2,2-difluoropropanoyloxy)-5-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-5-yl]methyl 4-oxoadamantane-1-carboxylate;[1'-(2,2-difluoropropanoyloxy)spiro[1,3-dithiolane-2,4'-adamantane]-4-yl]methyl adamantane-1-carboxylate;[1'-(2,2-difluoropropanoyloxy)spiro[1,3-dithiolane-2,4'-adamantane]-4-yl]methyl 4-oxoadamantane-1-carboxylate;tetrakis(10-phenylphenoxathiin-10-ium)

C206H226F8O33S8+4 — CID 162043100

About [1'-(2,2-difluoropropanoyloxy)-5-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-5-yl]methyl 3-hydroxyadamantane-1-carboxylate;[1'-(2,2-difluoropropanoyloxy)-5-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-5-yl]methyl 4-oxoadamantane-1-carboxylate;[1'-(2,2-difluoropropanoyloxy)spiro[1,3-dithiolane-2,4'-adamantane]-4-yl]methyl adamantane-1-carboxylate;[1'-(2,2-difluoropropanoyloxy)spiro[1,3-dithiolane-2,4'-adamantane]-4-yl]methyl 4-oxoadamantane-1-carboxylate;tetrakis(10-phenylphenoxathiin-10-ium)

[1'-(2,2-difluoropropanoyloxy)-5-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-5-yl]methyl 3-hydroxyadamantane-1-carboxylate;[1'-(2,2-difluoropropanoyloxy)-5-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-5-yl]methyl 4-oxoadamantane-1-carboxylate;[1'-(2,2-difluoropropanoyloxy)spiro[1,3-dithiolane-2,4'-adamantane]-4-yl]methyl adamantane-1-carboxylate;[1'-(2,2-difluoropropanoyloxy)spiro[1,3-dithiolane-2,4'-adamantane]-4-yl]methyl 4-oxoadamantane-1-carboxylate;tetrakis(10-phenylphenoxathiin-10-ium) (PubChem CID 162043100) has the molecular formula C206H226F8O33S8+4 and a molecular weight of 3638.56 g/mol. Its IUPAC name is [1'-(2,2-difluoropropanoyloxy)-5-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-5-yl]methyl 3-hydroxyadamantane-1-carboxylate;[1'-(2,2-difluoropropanoyloxy)-5-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-5-yl]methyl 4-oxoadamantane-1-carboxylate;[1'-(2,2-difluoropropanoyloxy)spiro[1,3-dithiolane-2,4'-adamantane]-4-yl]methyl adamantane-1-carboxylate;[1'-(2,2-difluoropropanoyloxy)spiro[1,3-dithiolane-2,4'-adamantane]-4-yl]methyl 4-oxoadamantane-1-carboxylate;tetrakis(10-phenylphenoxathiin-10-ium).

Molecular Properties

• Compound Name: [1'-(2,2-difluoropropanoyloxy)-5-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-5-yl]methyl 3-hydroxyadamantane-1-carboxylate;[1'-(2,2-difluoropropanoyloxy)-5-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-5-yl]methyl 4-oxoadamantane-1-carboxylate;[1'-(2,2-difluoropropanoyloxy)spiro[1,3-dithiolane-2,4'-adamantane]-4-yl]methyl adamantane-1-carboxylate;[1'-(2,2-difluoropropanoyloxy)spiro[1,3-dithiolane-2,4'-adamantane]-4-yl]methyl 4-oxoadamantane-1-carboxylate;tetrakis(10-phenylphenoxathiin-10-ium)
• PubChem CID: 162043100
• Molecular Formula: C206H226F8O33S8+4
• Molecular Weight: 3638.56 g/mol
• Exact Mass: 3635.36
• IUPAC Name: [1'-(2,2-difluoropropanoyloxy)-5-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-5-yl]methyl 3-hydroxyadamantane-1-carboxylate;[1'-(2,2-difluoropropanoyloxy)-5-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-5-yl]methyl 4-oxoadamantane-1-carboxylate;[1'-(2,2-difluoropropanoyloxy)spiro[1,3-dithiolane-2,4'-adamantane]-4-yl]methyl adamantane-1-carboxylate;[1'-(2,2-difluoropropanoyloxy)spiro[1,3-dithiolane-2,4'-adamantane]-4-yl]methyl 4-oxoadamantane-1-carboxylate;tetrakis(10-phenylphenoxathiin-10-ium)
• SMILES: CC(F)(F)C(=O)OC12CC3CC(C1)C1(OCC(COC(=O)C45CC6CC(C4)C(=O)C(C6)C5)(COC(=O)C45CC6CC(C4)C(=O)C(C6)C5)CO1)C(C3)C2.CC(F)(F)C(=O)OC12CC3CC(C1)C1(OCC(COC(=O)C45CC6CC(CC(O)(C6)C4)C5)(COC(=O)C45CC6CC(CC(O)(C6)C4)C5)CO1)C(C3)C2.CC(F)(F)C(=O)OC12CC3CC(C1)C1(SCC(COC(=O)C45CC6CC(C4)C(=O)C(C6)C5)S1)C(C3)C2.CC(F)(F)C(=O)OC12CC3CC(C1)C1(SCC(COC(=O)C45CC6CC(CC(C6)C4)C5)S1)C(C3)C2.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1
• InChI: InChI=1S/C40H54F2O10.C40H50F2O10.C27H34F2O5S2.C27H36F2O4S2.4C18H13OS/c1-33(41,42)30(43)52-39-14-23-4-28(15-39)40(29(5-23)16-39)50-21-34(22-51-40,19-48-31(44)35-6-24-2-25(7-35)11-37(46,10-24)17-35)20-49-32(45)36-8-26-3-27(9-36)13-38(47,12-26)18-36;1-35(41,42)32(45)52-39-10-23-6-28(15-39)40(29(7-23)16-39)50-19-36(20-51-40,17-48-33(46)37-8-21-2-24(11-37)30(43)25(3-21)12-37)18-49-34(47)38-9-22-4-26(13-38)31(44)27(5-22)14-38;1-24(28,29)22(31)34-26-7-15-4-18(10-26)27(19(5-15)11-26)35-13-20(36-27)12-33-23(32)25-6-14-2-16(8-25)21(30)17(3-14)9-25;1-24(28,29)22(30)33-26-10-18-5-19(11-26)27(20(6-18)12-26)34-14-21(35-27)13-32-23(31)25-7-15-2-16(8-25)4-17(3-15)9-25;4*1-2-8-14(9-3-1)20-17-12-6-4-10-15(17)19-16-11-5-7-13-18(16)20/h23-29,46-47H,2-22H2,1H3;21-29H,2-20H2,1H3;14-20H,2-13H2,1H3;15-21H,2-14H2,1H3;4*1-13H/q;;;;4*+1
• InChIKey: YXNQJMSHTFNOMD-UHFFFAOYSA-N
• XLogP: 41.48
• TPSA: 428.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 37
• Rotatable Bonds: 30
• Heavy Atoms: 255
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3638.56
LogP ≤ 5	41.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of [1'-(2,2-difluoropropanoyloxy)-5-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-5-yl]methyl 3-hydroxyadamantane-1-carboxylate;[1'-(2,2-difluoropropanoyloxy)-5-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-5-yl]methyl 4-oxoadamantane-1-carboxylate;[1'-(2,2-difluoropropanoyloxy)spiro[1,3-dithiolane-2,4'-adamantane]-4-yl]methyl adamantane-1-carboxylate;[1'-(2,2-difluoropropanoyloxy)spiro[1,3-dithiolane-2,4'-adamantane]-4-yl]methyl 4-oxoadamantane-1-carboxylate;tetrakis(10-phenylphenoxathiin-10-ium)?

The IUPAC name of [1'-(2,2-difluoropropanoyloxy)-5-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-5-yl]methyl 3-hydroxyadamantane-1-carboxylate;[1'-(2,2-difluoropropanoyloxy)-5-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-5-yl]methyl 4-oxoadamantane-1-carboxylate;[1'-(2,2-difluoropropanoyloxy)spiro[1,3-dithiolane-2,4'-adamantane]-4-yl]methyl adamantane-1-carboxylate;[1'-(2,2-difluoropropanoyloxy)spiro[1,3-dithiolane-2,4'-adamantane]-4-yl]methyl 4-oxoadamantane-1-carboxylate;tetrakis(10-phenylphenoxathiin-10-ium) (CID 162043100) is [1'-(2,2-difluoropropanoyloxy)-5-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-5-yl]methyl 3-hydroxyadamantane-1-carboxylate;[1'-(2,2-difluoropropanoyloxy)-5-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-5-yl]methyl 4-oxoadamantane-1-carboxylate;[1'-(2,2-difluoropropanoyloxy)spiro[1,3-dithiolane-2,4'-adamantane]-4-yl]methyl adamantane-1-carboxylate;[1'-(2,2-difluoropropanoyloxy)spiro[1,3-dithiolane-2,4'-adamantane]-4-yl]methyl 4-oxoadamantane-1-carboxylate;tetrakis(10-phenylphenoxathiin-10-ium).

What is the SMILES notation for [1'-(2,2-difluoropropanoyloxy)-5-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-5-yl]methyl 3-hydroxyadamantane-1-carboxylate;[1'-(2,2-difluoropropanoyloxy)-5-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-5-yl]methyl 4-oxoadamantane-1-carboxylate;[1'-(2,2-difluoropropanoyloxy)spiro[1,3-dithiolane-2,4'-adamantane]-4-yl]methyl adamantane-1-carboxylate;[1'-(2,2-difluoropropanoyloxy)spiro[1,3-dithiolane-2,4'-adamantane]-4-yl]methyl 4-oxoadamantane-1-carboxylate;tetrakis(10-phenylphenoxathiin-10-ium)?

The canonical SMILES for [1'-(2,2-difluoropropanoyloxy)-5-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-5-yl]methyl 3-hydroxyadamantane-1-carboxylate;[1'-(2,2-difluoropropanoyloxy)-5-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-5-yl]methyl 4-oxoadamantane-1-carboxylate;[1'-(2,2-difluoropropanoyloxy)spiro[1,3-dithiolane-2,4'-adamantane]-4-yl]methyl adamantane-1-carboxylate;[1'-(2,2-difluoropropanoyloxy)spiro[1,3-dithiolane-2,4'-adamantane]-4-yl]methyl 4-oxoadamantane-1-carboxylate;tetrakis(10-phenylphenoxathiin-10-ium) is CC(F)(F)C(=O)OC12CC3CC(C1)C1(OCC(COC(=O)C45CC6CC(C4)C(=O)C(C6)C5)(COC(=O)C45CC6CC(C4)C(=O)C(C6)C5)CO1)C(C3)C2.CC(F)(F)C(=O)OC12CC3CC(C1)C1(OCC(COC(=O)C45CC6CC(CC(O)(C6)C4)C5)(COC(=O)C45CC6CC(CC(O)(C6)C4)C5)CO1)C(C3)C2.CC(F)(F)C(=O)OC12CC3CC(C1)C1(SCC(COC(=O)C45CC6CC(C4)C(=O)C(C6)C5)S1)C(C3)C2.CC(F)(F)C(=O)OC12CC3CC(C1)C1(SCC(COC(=O)C45CC6CC(CC(C6)C4)C5)S1)C(C3)C2.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.

What is the InChIKey of [1'-(2,2-difluoropropanoyloxy)-5-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-5-yl]methyl 3-hydroxyadamantane-1-carboxylate;[1'-(2,2-difluoropropanoyloxy)-5-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-5-yl]methyl 4-oxoadamantane-1-carboxylate;[1'-(2,2-difluoropropanoyloxy)spiro[1,3-dithiolane-2,4'-adamantane]-4-yl]methyl adamantane-1-carboxylate;[1'-(2,2-difluoropropanoyloxy)spiro[1,3-dithiolane-2,4'-adamantane]-4-yl]methyl 4-oxoadamantane-1-carboxylate;tetrakis(10-phenylphenoxathiin-10-ium)?

The InChIKey is YXNQJMSHTFNOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H54F2O10.C40H50F2O10.C27H34F2O5S2.C27H36F2O4S2.4C18H13OS/c1-33(41,42)30(43)52-39-14-23-4-28(15-39)40(29(5-23)16-39)50-21-34(22-51-40,19-48-31(44)35-6-24-2-25(7-35)11-37(46,10-24)17-35)20-49-32(45)36-8-26-3-27(9-36)13-38(47,12-26)18-36;1-35(41,42)32(45)52-39-10-23-6-28(15-39)40(29(7-23)16-39)50-19-36(20-51-40,17-48-33(46)37-8-21-2-24(11-37)30(43)25(3-21)12-37)18-49-34(47)38-9-22-4-26(13-38)31(44)27(5-22)14-38;1-24(28,29)22(31)34-26-7-15-4-18(10-26)27(19(5-15)11-26)35-13-20(36-27)12-33-23(32)25-6-14-2-16(8-25)21(30)17(3-14)9-25;1-24(28,29)22(30)33-26-10-18-5-19(11-26)27(20(6-18)12-26)34-14-21(35-27)13-32-23(31)25-7-15-2-16(8-25)4-17(3-15)9-25;4*1-2-8-14(9-3-1)20-17-12-6-4-10-15(17)19-16-11-5-7-13-18(16)20/h23-29,46-47H,2-22H2,1H3;21-29H,2-20H2,1H3;14-20H,2-13H2,1H3;15-21H,2-14H2,1H3;4*1-13H/q;;;;4*+1.

What are the key properties of [1'-(2,2-difluoropropanoyloxy)-5-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-5-yl]methyl 3-hydroxyadamantane-1-carboxylate;[1'-(2,2-difluoropropanoyloxy)-5-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-5-yl]methyl 4-oxoadamantane-1-carboxylate;[1'-(2,2-difluoropropanoyloxy)spiro[1,3-dithiolane-2,4'-adamantane]-4-yl]methyl adamantane-1-carboxylate;[1'-(2,2-difluoropropanoyloxy)spiro[1,3-dithiolane-2,4'-adamantane]-4-yl]methyl 4-oxoadamantane-1-carboxylate;tetrakis(10-phenylphenoxathiin-10-ium)?

[1'-(2,2-difluoropropanoyloxy)-5-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-5-yl]methyl 3-hydroxyadamantane-1-carboxylate;[1'-(2,2-difluoropropanoyloxy)-5-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-5-yl]methyl 4-oxoadamantane-1-carboxylate;[1'-(2,2-difluoropropanoyloxy)spiro[1,3-dithiolane-2,4'-adamantane]-4-yl]methyl adamantane-1-carboxylate;[1'-(2,2-difluoropropanoyloxy)spiro[1,3-dithiolane-2,4'-adamantane]-4-yl]methyl 4-oxoadamantane-1-carboxylate;tetrakis(10-phenylphenoxathiin-10-ium) has a molecular weight of 3638.56 g/mol, XLogP of 41.48, 30 rotatable bonds, 2 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for [1'-(2,2-difluoropropanoyloxy)-5-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-5-yl]methyl 3-hydroxyadamantane-1-carboxylate;[1'-(2,2-difluoropropanoyloxy)-5-[(4-oxoadamantane-1-carbonyl)oxymethyl]spiro[1,3-dioxane-2,4'-adamantane]-5-yl]methyl 4-oxoadamantane-1-carboxylate;[1'-(2,2-difluoropropanoyloxy)spiro[1,3-dithiolane-2,4'-adamantane]-4-yl]methyl adamantane-1-carboxylate;[1'-(2,2-difluoropropanoyloxy)spiro[1,3-dithiolane-2,4'-adamantane]-4-yl]methyl 4-oxoadamantane-1-carboxylate;tetrakis(10-phenylphenoxathiin-10-ium) is sourced from PubChem (CID 162043100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).