[3-[3-(2-ethyl-2-adamantyl)-2-oxopropoxy]-2-hydroxypropyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[3-[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethoxy]-2-hydroxypropyl] 2,2-difluoropropanoate;[2-hydroxy-3-[3-(2-methyl-2-adamantyl)-2-oxopropoxy]propyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[2-hydroxy-3-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]propyl] 2,2-difluoropropanoate;tetrakis(10-phenylphenoxathiin-10-ium)

C174H200F8O30S4+4 — CID 160882845

About [3-[3-(2-ethyl-2-adamantyl)-2-oxopropoxy]-2-hydroxypropyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[3-[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethoxy]-2-hydroxypropyl] 2,2-difluoropropanoate;[2-hydroxy-3-[3-(2-methyl-2-adamantyl)-2-oxopropoxy]propyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[2-hydroxy-3-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]propyl] 2,2-difluoropropanoate;tetrakis(10-phenylphenoxathiin-10-ium)

[3-[3-(2-ethyl-2-adamantyl)-2-oxopropoxy]-2-hydroxypropyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[3-[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethoxy]-2-hydroxypropyl] 2,2-difluoropropanoate;[2-hydroxy-3-[3-(2-methyl-2-adamantyl)-2-oxopropoxy]propyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[2-hydroxy-3-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]propyl] 2,2-difluoropropanoate;tetrakis(10-phenylphenoxathiin-10-ium) (PubChem CID 160882845) has the molecular formula C174H200F8O30S4+4 and a molecular weight of 3051.74 g/mol. Its IUPAC name is [3-[3-(2-ethyl-2-adamantyl)-2-oxopropoxy]-2-hydroxypropyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[3-[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethoxy]-2-hydroxypropyl] 2,2-difluoropropanoate;[2-hydroxy-3-[3-(2-methyl-2-adamantyl)-2-oxopropoxy]propyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[2-hydroxy-3-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]propyl] 2,2-difluoropropanoate;tetrakis(10-phenylphenoxathiin-10-ium).

Molecular Properties

• Compound Name: [3-[3-(2-ethyl-2-adamantyl)-2-oxopropoxy]-2-hydroxypropyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[3-[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethoxy]-2-hydroxypropyl] 2,2-difluoropropanoate;[2-hydroxy-3-[3-(2-methyl-2-adamantyl)-2-oxopropoxy]propyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[2-hydroxy-3-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]propyl] 2,2-difluoropropanoate;tetrakis(10-phenylphenoxathiin-10-ium)
• PubChem CID: 160882845
• Molecular Formula: C174H200F8O30S4+4
• Molecular Weight: 3051.74 g/mol
• Exact Mass: 3049.29
• IUPAC Name: [3-[3-(2-ethyl-2-adamantyl)-2-oxopropoxy]-2-hydroxypropyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[3-[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethoxy]-2-hydroxypropyl] 2,2-difluoropropanoate;[2-hydroxy-3-[3-(2-methyl-2-adamantyl)-2-oxopropoxy]propyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[2-hydroxy-3-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]propyl] 2,2-difluoropropanoate;tetrakis(10-phenylphenoxathiin-10-ium)
• SMILES: CC(F)(F)C(=O)OC1C2CC3CC1CC(C(=O)OCC(O)COCC(=O)CC1(C)C4CC5CC(C4)CC1C5)(C3)C2.CC(F)(F)C(=O)OCC(O)COCC(=O)OC1(C)C2CC3CC(C2)CC1C3.CCC1(CC(=O)COCC(O)COC(=O)C23CC4CC(C2)C(OC(=O)C(C)(F)F)C(C4)C3)C2CC3CC(C2)CC1C3.CCC1(OC(=O)COCC(O)COC(=O)C(C)(F)F)C2CC3CC(C2)CC1C3.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1
• InChI: InChI=1S/C32H46F2O7.C31H44F2O7.C20H30F2O6.C19H28F2O6.4C18H13OS/c1-3-32(23-7-18-4-19(9-23)10-24(32)8-18)14-25(35)15-39-16-26(36)17-40-29(38)31-11-20-5-21(12-31)27(22(6-20)13-31)41-28(37)30(2,33)34;1-29(22-6-17-3-18(8-22)9-23(29)7-17)13-24(34)14-38-15-25(35)16-39-28(37)31-10-19-4-20(11-31)26(21(5-19)12-31)40-27(36)30(2,32)33;1-3-20(14-5-12-4-13(7-14)8-15(20)6-12)28-17(24)11-26-9-16(23)10-27-18(25)19(2,21)22;1-18(13-4-11-3-12(6-13)7-14(18)5-11)27-16(23)10-25-8-15(22)9-26-17(24)19(2,20)21;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/h18-24,26-27,36H,3-17H2,1-2H3;17-23,25-26,35H,3-16H2,1-2H3;12-16,23H,3-11H2,1-2H3;11-15,22H,3-10H2,1-2H3;4*1-13H/q;;;;4*+1
• InChIKey: SNGIRWLZJLYBDM-UHFFFAOYSA-N
• XLogP: 34.42
• TPSA: 399.30 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 44
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3051.74
LogP ≤ 5	34.42
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-[3-(2-ethyl-2-adamantyl)-2-oxopropoxy]-2-hydroxypropyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[3-[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethoxy]-2-hydroxypropyl] 2,2-difluoropropanoate;[2-hydroxy-3-[3-(2-methyl-2-adamantyl)-2-oxopropoxy]propyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[2-hydroxy-3-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]propyl] 2,2-difluoropropanoate;tetrakis(10-phenylphenoxathiin-10-ium)?

The IUPAC name of [3-[3-(2-ethyl-2-adamantyl)-2-oxopropoxy]-2-hydroxypropyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[3-[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethoxy]-2-hydroxypropyl] 2,2-difluoropropanoate;[2-hydroxy-3-[3-(2-methyl-2-adamantyl)-2-oxopropoxy]propyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[2-hydroxy-3-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]propyl] 2,2-difluoropropanoate;tetrakis(10-phenylphenoxathiin-10-ium) (CID 160882845) is [3-[3-(2-ethyl-2-adamantyl)-2-oxopropoxy]-2-hydroxypropyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[3-[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethoxy]-2-hydroxypropyl] 2,2-difluoropropanoate;[2-hydroxy-3-[3-(2-methyl-2-adamantyl)-2-oxopropoxy]propyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[2-hydroxy-3-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]propyl] 2,2-difluoropropanoate;tetrakis(10-phenylphenoxathiin-10-ium).

What is the SMILES notation for [3-[3-(2-ethyl-2-adamantyl)-2-oxopropoxy]-2-hydroxypropyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[3-[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethoxy]-2-hydroxypropyl] 2,2-difluoropropanoate;[2-hydroxy-3-[3-(2-methyl-2-adamantyl)-2-oxopropoxy]propyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[2-hydroxy-3-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]propyl] 2,2-difluoropropanoate;tetrakis(10-phenylphenoxathiin-10-ium)?

The canonical SMILES for [3-[3-(2-ethyl-2-adamantyl)-2-oxopropoxy]-2-hydroxypropyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[3-[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethoxy]-2-hydroxypropyl] 2,2-difluoropropanoate;[2-hydroxy-3-[3-(2-methyl-2-adamantyl)-2-oxopropoxy]propyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[2-hydroxy-3-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]propyl] 2,2-difluoropropanoate;tetrakis(10-phenylphenoxathiin-10-ium) is CC(F)(F)C(=O)OC1C2CC3CC1CC(C(=O)OCC(O)COCC(=O)CC1(C)C4CC5CC(C4)CC1C5)(C3)C2.CC(F)(F)C(=O)OCC(O)COCC(=O)OC1(C)C2CC3CC(C2)CC1C3.CCC1(CC(=O)COCC(O)COC(=O)C23CC4CC(C2)C(OC(=O)C(C)(F)F)C(C4)C3)C2CC3CC(C2)CC1C3.CCC1(OC(=O)COCC(O)COC(=O)C(C)(F)F)C2CC3CC(C2)CC1C3.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.

What is the InChIKey of [3-[3-(2-ethyl-2-adamantyl)-2-oxopropoxy]-2-hydroxypropyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[3-[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethoxy]-2-hydroxypropyl] 2,2-difluoropropanoate;[2-hydroxy-3-[3-(2-methyl-2-adamantyl)-2-oxopropoxy]propyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[2-hydroxy-3-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]propyl] 2,2-difluoropropanoate;tetrakis(10-phenylphenoxathiin-10-ium)?

The InChIKey is SNGIRWLZJLYBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46F2O7.C31H44F2O7.C20H30F2O6.C19H28F2O6.4C18H13OS/c1-3-32(23-7-18-4-19(9-23)10-24(32)8-18)14-25(35)15-39-16-26(36)17-40-29(38)31-11-20-5-21(12-31)27(22(6-20)13-31)41-28(37)30(2,33)34;1-29(22-6-17-3-18(8-22)9-23(29)7-17)13-24(34)14-38-15-25(35)16-39-28(37)31-10-19-4-20(11-31)26(21(5-19)12-31)40-27(36)30(2,32)33;1-3-20(14-5-12-4-13(7-14)8-15(20)6-12)28-17(24)11-26-9-16(23)10-27-18(25)19(2,21)22;1-18(13-4-11-3-12(6-13)7-14(18)5-11)27-16(23)10-25-8-15(22)9-26-17(24)19(2,20)21;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/h18-24,26-27,36H,3-17H2,1-2H3;17-23,25-26,35H,3-16H2,1-2H3;12-16,23H,3-11H2,1-2H3;11-15,22H,3-10H2,1-2H3;4*1-13H/q;;;;4*+1.

What are the key properties of [3-[3-(2-ethyl-2-adamantyl)-2-oxopropoxy]-2-hydroxypropyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[3-[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethoxy]-2-hydroxypropyl] 2,2-difluoropropanoate;[2-hydroxy-3-[3-(2-methyl-2-adamantyl)-2-oxopropoxy]propyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[2-hydroxy-3-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]propyl] 2,2-difluoropropanoate;tetrakis(10-phenylphenoxathiin-10-ium)?

[3-[3-(2-ethyl-2-adamantyl)-2-oxopropoxy]-2-hydroxypropyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[3-[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethoxy]-2-hydroxypropyl] 2,2-difluoropropanoate;[2-hydroxy-3-[3-(2-methyl-2-adamantyl)-2-oxopropoxy]propyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[2-hydroxy-3-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]propyl] 2,2-difluoropropanoate;tetrakis(10-phenylphenoxathiin-10-ium) has a molecular weight of 3051.74 g/mol, XLogP of 34.42, 44 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[3-(2-ethyl-2-adamantyl)-2-oxopropoxy]-2-hydroxypropyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[3-[2-[(2-ethyl-2-adamantyl)oxy]-2-oxoethoxy]-2-hydroxypropyl] 2,2-difluoropropanoate;[2-hydroxy-3-[3-(2-methyl-2-adamantyl)-2-oxopropoxy]propyl] 4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylate;[2-hydroxy-3-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]propyl] 2,2-difluoropropanoate;tetrakis(10-phenylphenoxathiin-10-ium) is sourced from PubChem (CID 160882845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).