[5-[2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[3-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 4-[2-(2,2-difluoropropanoyloxy)acetyl]oxyadamantane-1-carboxylate;phenyliodanuidylbenzene;tris(4-methylphenyl)sulfanium

C150H165F8I3O30S-2 — CID 158085795

IUPAC[5-[2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[3-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 4-[2-(2,2-difluoropropanoyloxy)acetyl]oxyadamantane-1-carboxylate;phenyliodanuidylbenzene;tris(4-methylphenyl)sulfanium
SMILESCC(F)(F)C(=O)OC12CC3CC(CC(OCC(=O)OC4C5CC6C(=O)OC4C6C5)(C3)C1)C2.CC(F)(F)C(=O)OC1C2CC3CC1CC(OCC(=O)OC14CC5CC(C1)C(=O)C(C5)C4)(C3)C2.CC(F)(F)C(=O)OC1C2CC3CC1CC(OCC(=O)OC1C4CC5C(=O)OC1C5C4)(C3)C2.CC(F)(F)C(=O)OCC(=O)OC1C2CC3CC1CC(C(=O)OCC(=O)OC1CCOC1=O)(C3)C2.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.c1ccc([I-]c2ccccc2)cc1.c1ccc([I-]c2ccccc2)cc1.c1ccc([I-]c2ccccc2)cc1
InChIInChI=1S/C25H32F2O6.2C23H28F2O7.C22H26F2O10.C21H21S.3C12H10I/c1-23(26,27)22(30)32-21-17-4-14-5-18(21)11-24(6-14,10-17)31-12-19(28)33-25-7-13-2-15(8-25)20(29)16(3-13)9-25;1-21(24,25)20(28)32-23-7-11-2-12(8-23)6-22(5-11,10-23)29-9-16(26)30-17-13-3-14-15(4-13)19(27)31-18(14)17;1-22(24,25)21(28)32-17-12-2-10-3-13(17)8-23(6-10,7-12)29-9-16(26)30-18-11-4-14-15(5-11)20(27)31-19(14)18;1-21(23,24)19(28)31-10-16(26)34-17-12-4-11-5-13(17)8-22(6-11,7-12)20(29)32-9-15(25)33-14-2-3-30-18(14)27;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;3*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h13-18,21H,2-12H2,1H3;11-15,17-18H,2-10H2,1H3;10-15,17-19H,2-9H2,1H3;11-14,17H,2-10H2,1H3;4-15H,1-3H3;3*1-10H/q;;;;+1;3*-1
InChIKeyNQEWOGKTGRIYSC-UHFFFAOYSA-N
MW3012.70 g/mol
LogP15.74
Rot. Bonds35

About [5-[2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[3-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 4-[2-(2,2-difluoropropanoyloxy)acetyl]oxyadamantane-1-carboxylate;phenyliodanuidylbenzene;tris(4-methylphenyl)sulfanium

[5-[2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[3-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 4-[2-(2,2-difluoropropanoyloxy)acetyl]oxyadamantane-1-carboxylate;phenyliodanuidylbenzene;tris(4-methylphenyl)sulfanium (PubChem CID 158085795) has the molecular formula C150H165F8I3O30S-2 and a molecular weight of 3012.70 g/mol. Its IUPAC name is [5-[2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[3-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 4-[2-(2,2-difluoropropanoyloxy)acetyl]oxyadamantane-1-carboxylate;phenyliodanuidylbenzene;tris(4-methylphenyl)sulfanium.

Molecular Properties

Compound Name[5-[2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[3-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 4-[2-(2,2-difluoropropanoyloxy)acetyl]oxyadamantane-1-carboxylate;phenyliodanuidylbenzene;tris(4-methylphenyl)sulfanium
PubChem CID158085795
Molecular FormulaC150H165F8I3O30S-2
Molecular Weight3012.70 g/mol
Exact Mass3010.81
IUPAC Name[5-[2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[3-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 4-[2-(2,2-difluoropropanoyloxy)acetyl]oxyadamantane-1-carboxylate;phenyliodanuidylbenzene;tris(4-methylphenyl)sulfanium
SMILESCC(F)(F)C(=O)OC12CC3CC(CC(OCC(=O)OC4C5CC6C(=O)OC4C6C5)(C3)C1)C2.CC(F)(F)C(=O)OC1C2CC3CC1CC(OCC(=O)OC14CC5CC(C1)C(=O)C(C5)C4)(C3)C2.CC(F)(F)C(=O)OC1C2CC3CC1CC(OCC(=O)OC1C4CC5C(=O)OC1C5C4)(C3)C2.CC(F)(F)C(=O)OCC(=O)OC1C2CC3CC1CC(C(=O)OCC(=O)OC1CCOC1=O)(C3)C2.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.c1ccc([I-]c2ccccc2)cc1.c1ccc([I-]c2ccccc2)cc1.c1ccc([I-]c2ccccc2)cc1
InChIInChI=1S/C25H32F2O6.2C23H28F2O7.C22H26F2O10.C21H21S.3C12H10I/c1-23(26,27)22(30)32-21-17-4-14-5-18(21)11-24(6-14,10-17)31-12-19(28)33-25-7-13-2-15(8-25)20(29)16(3-13)9-25;1-21(24,25)20(28)32-23-7-11-2-12(8-23)6-22(5-11,10-23)29-9-16(26)30-17-13-3-14-15(4-13)19(27)31-18(14)17;1-22(24,25)21(28)32-17-12-2-10-3-13(17)8-23(6-10,7-12)29-9-16(26)30-18-11-4-14-15(5-11)20(27)31-19(14)18;1-21(23,24)19(28)31-10-16(26)34-17-12-4-11-5-13(17)8-22(6-11,7-12)20(29)32-9-15(25)33-14-2-3-30-18(14)27;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;3*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h13-18,21H,2-12H2,1H3;11-15,17-18H,2-10H2,1H3;10-15,17-19H,2-9H2,1H3;11-14,17H,2-10H2,1H3;4-15H,1-3H3;3*1-10H/q;;;;+1;3*-1
InChIKeyNQEWOGKTGRIYSC-UHFFFAOYSA-N
XLogP15.74
TPSA386.66 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds35
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003012.70
LogP ≤ 515.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze [5-[2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[3-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 4-[2-(2,2-difluoropropanoyloxy)acetyl]oxyadamantane-1-carboxylate;phenyliodanuidylbenzene;tris(4-methylphenyl)sulfanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-[2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[3-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 4-[2-(2,2-difluoropropanoyloxy)acetyl]oxyadamantane-1-carboxylate;phenyliodanuidylbenzene;tris(4-methylphenyl)sulfanium?
The IUPAC name of [5-[2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[3-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 4-[2-(2,2-difluoropropanoyloxy)acetyl]oxyadamantane-1-carboxylate;phenyliodanuidylbenzene;tris(4-methylphenyl)sulfanium (CID 158085795) is [5-[2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[3-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 4-[2-(2,2-difluoropropanoyloxy)acetyl]oxyadamantane-1-carboxylate;phenyliodanuidylbenzene;tris(4-methylphenyl)sulfanium.
What is the SMILES notation for [5-[2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[3-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 4-[2-(2,2-difluoropropanoyloxy)acetyl]oxyadamantane-1-carboxylate;phenyliodanuidylbenzene;tris(4-methylphenyl)sulfanium?
The canonical SMILES for [5-[2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[3-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 4-[2-(2,2-difluoropropanoyloxy)acetyl]oxyadamantane-1-carboxylate;phenyliodanuidylbenzene;tris(4-methylphenyl)sulfanium is CC(F)(F)C(=O)OC12CC3CC(CC(OCC(=O)OC4C5CC6C(=O)OC4C6C5)(C3)C1)C2.CC(F)(F)C(=O)OC1C2CC3CC1CC(OCC(=O)OC14CC5CC(C1)C(=O)C(C5)C4)(C3)C2.CC(F)(F)C(=O)OC1C2CC3CC1CC(OCC(=O)OC1C4CC5C(=O)OC1C5C4)(C3)C2.CC(F)(F)C(=O)OCC(=O)OC1C2CC3CC1CC(C(=O)OCC(=O)OC1CCOC1=O)(C3)C2.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.c1ccc([I-]c2ccccc2)cc1.c1ccc([I-]c2ccccc2)cc1.c1ccc([I-]c2ccccc2)cc1.
What is the InChIKey of [5-[2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[3-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 4-[2-(2,2-difluoropropanoyloxy)acetyl]oxyadamantane-1-carboxylate;phenyliodanuidylbenzene;tris(4-methylphenyl)sulfanium?
The InChIKey is NQEWOGKTGRIYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F2O6.2C23H28F2O7.C22H26F2O10.C21H21S.3C12H10I/c1-23(26,27)22(30)32-21-17-4-14-5-18(21)11-24(6-14,10-17)31-12-19(28)33-25-7-13-2-15(8-25)20(29)16(3-13)9-25;1-21(24,25)20(28)32-23-7-11-2-12(8-23)6-22(5-11,10-23)29-9-16(26)30-17-13-3-14-15(4-13)19(27)31-18(14)17;1-22(24,25)21(28)32-17-12-2-10-3-13(17)8-23(6-10,7-12)29-9-16(26)30-18-11-4-14-15(5-11)20(27)31-19(14)18;1-21(23,24)19(28)31-10-16(26)34-17-12-4-11-5-13(17)8-22(6-11,7-12)20(29)32-9-15(25)33-14-2-3-30-18(14)27;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;3*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h13-18,21H,2-12H2,1H3;11-15,17-18H,2-10H2,1H3;10-15,17-19H,2-9H2,1H3;11-14,17H,2-10H2,1H3;4-15H,1-3H3;3*1-10H/q;;;;+1;3*-1.
What are the key properties of [5-[2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[3-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 4-[2-(2,2-difluoropropanoyloxy)acetyl]oxyadamantane-1-carboxylate;phenyliodanuidylbenzene;tris(4-methylphenyl)sulfanium?
[5-[2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[3-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 4-[2-(2,2-difluoropropanoyloxy)acetyl]oxyadamantane-1-carboxylate;phenyliodanuidylbenzene;tris(4-methylphenyl)sulfanium has a molecular weight of 3012.70 g/mol, XLogP of 15.74, 35 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[3-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-1-adamantyl] 2,2-difluoropropanoate;[5-[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethoxy]-2-adamantyl] 2,2-difluoropropanoate;[2-oxo-2-(2-oxooxolan-3-yl)oxyethyl] 4-[2-(2,2-difluoropropanoyloxy)acetyl]oxyadamantane-1-carboxylate;phenyliodanuidylbenzene;tris(4-methylphenyl)sulfanium is sourced from PubChem (CID 158085795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).