[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl cyclohexa-2,4-diene-1-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl cyclohexanecarboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methylbenzoate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methylcyclohexane-1-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-propan-2-ylcyclohexane-1-carboxylate;[3-[[2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)acetyl]oxymethyl]-1-adamantyl]methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate

C160H209F14O51S7-7 — CID 159427059

IUPAC[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl cyclohexa-2,4-diene-1-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl cyclohexanecarboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methylbenzoate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methylcyclohexane-1-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-propan-2-ylcyclohexane-1-carboxylate;[3-[[2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)acetyl]oxymethyl]-1-adamantyl]methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate
SMILESCC(C)C1CCC(C(=O)OCC23CC4CC(C2)CC(COC(=O)C(F)(F)SOO[O-])(C4)C3)CC1.CC1CC2C3CC(C(=O)OCC45CC6CC(C4)CC(COC(=O)C(F)(F)SOO[O-])(C6)C5)C(C3)C2C1.CC1CCC(C(=O)OCC23CC4CC(C2)CC(COC(=O)C(F)(F)SOO[O-])(C4)C3)CC1.Cc1ccc(C(=O)OCC23CC4CC(C2)CC(COC(=O)C(F)(F)SOO[O-])(C4)C3)cc1.O=C(CC1C2CC3C(=O)OC1C3C2)OCC12CC3CC(C1)CC(COC(=O)C(F)(F)SOO[O-])(C3)C2.O=C(OCC12CC3CC(C1)CC(COC(=O)C(F)(F)SOO[O-])(C3)C2)C1C=CC=CC1.O=C(OCC12CC3CC(C1)CC(COC(=O)C(F)(F)SOO[O-])(C3)C2)C1CCCCC1
InChIInChI=1S/C26H36F2O7S.C24H30F2O9S.C24H36F2O7S.C22H32F2O7S.C22H26F2O7S.C21H30F2O7S.C21H26F2O7S/c1-14-2-18-17-5-20(19(18)3-14)21(6-17)22(29)32-12-24-7-15-4-16(8-24)10-25(9-15,11-24)13-33-23(30)26(27,28)36-35-34-31;25-24(26,36-35-34-30)21(29)32-11-23-7-12-1-13(8-23)6-22(5-12,9-23)10-31-18(27)4-15-14-2-16-17(3-14)20(28)33-19(15)16;1-15(2)18-3-5-19(6-4-18)20(27)30-13-22-8-16-7-17(9-22)11-23(10-16,12-22)14-31-21(28)24(25,26)34-33-32-29;2*1-14-2-4-17(5-3-14)18(25)28-12-20-7-15-6-16(8-20)10-21(9-15,11-20)13-29-19(26)22(23,24)32-31-30-27;2*22-21(23,31-30-29-26)18(25)28-13-20-9-14-6-15(10-20)8-19(7-14,11-20)12-27-17(24)16-4-2-1-3-5-16/h14-21,31H,2-13H2,1H3;12-17,19,30H,1-11H2;15-19,29H,3-14H2,1-2H3;14-17,27H,2-13H2,1H3;2-5,15-16,27H,6-13H2,1H3;14-16,26H,1-13H2;1-4,14-16,26H,5-13H2/p-7
InChIKeyLQMPBXGJADQEHL-UHFFFAOYSA-G
MW3438.82 g/mol
LogP26.40
Rot. Bonds65

About [3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl cyclohexa-2,4-diene-1-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl cyclohexanecarboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methylbenzoate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methylcyclohexane-1-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-propan-2-ylcyclohexane-1-carboxylate;[3-[[2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)acetyl]oxymethyl]-1-adamantyl]methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate

[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl cyclohexa-2,4-diene-1-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl cyclohexanecarboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methylbenzoate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methylcyclohexane-1-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-propan-2-ylcyclohexane-1-carboxylate;[3-[[2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)acetyl]oxymethyl]-1-adamantyl]methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate (PubChem CID 159427059) has the molecular formula C160H209F14O51S7-7 and a molecular weight of 3438.82 g/mol. Its IUPAC name is [3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl cyclohexa-2,4-diene-1-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl cyclohexanecarboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methylbenzoate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methylcyclohexane-1-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-propan-2-ylcyclohexane-1-carboxylate;[3-[[2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)acetyl]oxymethyl]-1-adamantyl]methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate.

Molecular Properties

Compound Name[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl cyclohexa-2,4-diene-1-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl cyclohexanecarboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methylbenzoate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methylcyclohexane-1-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-propan-2-ylcyclohexane-1-carboxylate;[3-[[2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)acetyl]oxymethyl]-1-adamantyl]methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate
PubChem CID159427059
Molecular FormulaC160H209F14O51S7-7
Molecular Weight3438.82 g/mol
Exact Mass3436.16
IUPAC Name[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl cyclohexa-2,4-diene-1-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl cyclohexanecarboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methylbenzoate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methylcyclohexane-1-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-propan-2-ylcyclohexane-1-carboxylate;[3-[[2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)acetyl]oxymethyl]-1-adamantyl]methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate
SMILESCC(C)C1CCC(C(=O)OCC23CC4CC(C2)CC(COC(=O)C(F)(F)SOO[O-])(C4)C3)CC1.CC1CC2C3CC(C(=O)OCC45CC6CC(C4)CC(COC(=O)C(F)(F)SOO[O-])(C6)C5)C(C3)C2C1.CC1CCC(C(=O)OCC23CC4CC(C2)CC(COC(=O)C(F)(F)SOO[O-])(C4)C3)CC1.Cc1ccc(C(=O)OCC23CC4CC(C2)CC(COC(=O)C(F)(F)SOO[O-])(C4)C3)cc1.O=C(CC1C2CC3C(=O)OC1C3C2)OCC12CC3CC(C1)CC(COC(=O)C(F)(F)SOO[O-])(C3)C2.O=C(OCC12CC3CC(C1)CC(COC(=O)C(F)(F)SOO[O-])(C3)C2)C1C=CC=CC1.O=C(OCC12CC3CC(C1)CC(COC(=O)C(F)(F)SOO[O-])(C3)C2)C1CCCCC1
InChIInChI=1S/C26H36F2O7S.C24H30F2O9S.C24H36F2O7S.C22H32F2O7S.C22H26F2O7S.C21H30F2O7S.C21H26F2O7S/c1-14-2-18-17-5-20(19(18)3-14)21(6-17)22(29)32-12-24-7-15-4-16(8-24)10-25(9-15,11-24)13-33-23(30)26(27,28)36-35-34-31;25-24(26,36-35-34-30)21(29)32-11-23-7-12-1-13(8-23)6-22(5-12,9-23)10-31-18(27)4-15-14-2-16-17(3-14)20(28)33-19(15)16;1-15(2)18-3-5-19(6-4-18)20(27)30-13-22-8-16-7-17(9-22)11-23(10-16,12-22)14-31-21(28)24(25,26)34-33-32-29;2*1-14-2-4-17(5-3-14)18(25)28-12-20-7-15-6-16(8-20)10-21(9-15,11-20)13-29-19(26)22(23,24)32-31-30-27;2*22-21(23,31-30-29-26)18(25)28-13-20-9-14-6-15(10-20)8-19(7-14,11-20)12-27-17(24)16-4-2-1-3-5-16/h14-21,31H,2-13H2,1H3;12-17,19,30H,1-11H2;15-19,29H,3-14H2,1-2H3;14-17,27H,2-13H2,1H3;2-5,15-16,27H,6-13H2,1H3;14-16,26H,1-13H2;1-4,14-16,26H,5-13H2/p-7
InChIKeyLQMPBXGJADQEHL-UHFFFAOYSA-G
XLogP26.40
TPSA685.14 Ų
H-Bond Donors
H-Bond Acceptors58
Rotatable Bonds65
Heavy Atoms232
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003438.82
LogP ≤ 526.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1058

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze [3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl cyclohexa-2,4-diene-1-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl cyclohexanecarboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methylbenzoate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methylcyclohexane-1-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-propan-2-ylcyclohexane-1-carboxylate;[3-[[2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)acetyl]oxymethyl]-1-adamantyl]methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl cyclohexa-2,4-diene-1-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl cyclohexanecarboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methylbenzoate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methylcyclohexane-1-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-propan-2-ylcyclohexane-1-carboxylate;[3-[[2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)acetyl]oxymethyl]-1-adamantyl]methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate?
The IUPAC name of [3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl cyclohexa-2,4-diene-1-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl cyclohexanecarboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methylbenzoate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methylcyclohexane-1-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-propan-2-ylcyclohexane-1-carboxylate;[3-[[2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)acetyl]oxymethyl]-1-adamantyl]methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate (CID 159427059) is [3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl cyclohexa-2,4-diene-1-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl cyclohexanecarboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methylbenzoate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methylcyclohexane-1-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-propan-2-ylcyclohexane-1-carboxylate;[3-[[2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)acetyl]oxymethyl]-1-adamantyl]methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate.
What is the SMILES notation for [3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl cyclohexa-2,4-diene-1-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl cyclohexanecarboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methylbenzoate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methylcyclohexane-1-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-propan-2-ylcyclohexane-1-carboxylate;[3-[[2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)acetyl]oxymethyl]-1-adamantyl]methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate?
The canonical SMILES for [3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl cyclohexa-2,4-diene-1-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl cyclohexanecarboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methylbenzoate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methylcyclohexane-1-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-propan-2-ylcyclohexane-1-carboxylate;[3-[[2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)acetyl]oxymethyl]-1-adamantyl]methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate is CC(C)C1CCC(C(=O)OCC23CC4CC(C2)CC(COC(=O)C(F)(F)SOO[O-])(C4)C3)CC1.CC1CC2C3CC(C(=O)OCC45CC6CC(C4)CC(COC(=O)C(F)(F)SOO[O-])(C6)C5)C(C3)C2C1.CC1CCC(C(=O)OCC23CC4CC(C2)CC(COC(=O)C(F)(F)SOO[O-])(C4)C3)CC1.Cc1ccc(C(=O)OCC23CC4CC(C2)CC(COC(=O)C(F)(F)SOO[O-])(C4)C3)cc1.O=C(CC1C2CC3C(=O)OC1C3C2)OCC12CC3CC(C1)CC(COC(=O)C(F)(F)SOO[O-])(C3)C2.O=C(OCC12CC3CC(C1)CC(COC(=O)C(F)(F)SOO[O-])(C3)C2)C1C=CC=CC1.O=C(OCC12CC3CC(C1)CC(COC(=O)C(F)(F)SOO[O-])(C3)C2)C1CCCCC1.
What is the InChIKey of [3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl cyclohexa-2,4-diene-1-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl cyclohexanecarboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methylbenzoate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methylcyclohexane-1-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-propan-2-ylcyclohexane-1-carboxylate;[3-[[2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)acetyl]oxymethyl]-1-adamantyl]methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate?
The InChIKey is LQMPBXGJADQEHL-UHFFFAOYSA-G. The full InChI is InChI=1S/C26H36F2O7S.C24H30F2O9S.C24H36F2O7S.C22H32F2O7S.C22H26F2O7S.C21H30F2O7S.C21H26F2O7S/c1-14-2-18-17-5-20(19(18)3-14)21(6-17)22(29)32-12-24-7-15-4-16(8-24)10-25(9-15,11-24)13-33-23(30)26(27,28)36-35-34-31;25-24(26,36-35-34-30)21(29)32-11-23-7-12-1-13(8-23)6-22(5-12,9-23)10-31-18(27)4-15-14-2-16-17(3-14)20(28)33-19(15)16;1-15(2)18-3-5-19(6-4-18)20(27)30-13-22-8-16-7-17(9-22)11-23(10-16,12-22)14-31-21(28)24(25,26)34-33-32-29;2*1-14-2-4-17(5-3-14)18(25)28-12-20-7-15-6-16(8-20)10-21(9-15,11-20)13-29-19(26)22(23,24)32-31-30-27;2*22-21(23,31-30-29-26)18(25)28-13-20-9-14-6-15(10-20)8-19(7-14,11-20)12-27-17(24)16-4-2-1-3-5-16/h14-21,31H,2-13H2,1H3;12-17,19,30H,1-11H2;15-19,29H,3-14H2,1-2H3;14-17,27H,2-13H2,1H3;2-5,15-16,27H,6-13H2,1H3;14-16,26H,1-13H2;1-4,14-16,26H,5-13H2/p-7.
What are the key properties of [3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl cyclohexa-2,4-diene-1-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl cyclohexanecarboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methylbenzoate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methylcyclohexane-1-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-propan-2-ylcyclohexane-1-carboxylate;[3-[[2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)acetyl]oxymethyl]-1-adamantyl]methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate?
[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl cyclohexa-2,4-diene-1-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl cyclohexanecarboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methylbenzoate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methylcyclohexane-1-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-propan-2-ylcyclohexane-1-carboxylate;[3-[[2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)acetyl]oxymethyl]-1-adamantyl]methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate has a molecular weight of 3438.82 g/mol, XLogP of 26.40, 65 rotatable bonds, 0 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl cyclohexa-2,4-diene-1-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl cyclohexanecarboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methylbenzoate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methylcyclohexane-1-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-methyltricyclo[5.2.1.02,6]decane-8-carboxylate;[3-[(2,2-difluoro-2-oxidoperoxysulfanylacetyl)oxymethyl]-1-adamantyl]methyl 4-propan-2-ylcyclohexane-1-carboxylate;[3-[[2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)acetyl]oxymethyl]-1-adamantyl]methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate is sourced from PubChem (CID 159427059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).