tert-butyl (2-methylpropan-2-yl)oxysulfonyloxy sulfate;silver

C8H18Ag2O8S2 — CID 175343710

IUPACtert-butyl (2-methylpropan-2-yl)oxysulfonyloxy sulfate;silver
SMILESCC(C)(C)OS(=O)(=O)OOS(=O)(=O)OC(C)(C)C.[Ag].[Ag]
InChIInChI=1S/C8H18O8S2.2Ag/c1-7(2,3)13-17(9,10)15-16-18(11,12)14-8(4,5)6;;/h1-6H3;;
InChIKeyPXJPEJOABLEKRI-UHFFFAOYSA-N
MW522.09 g/mol
LogP1.05
Rot. Bonds5

About tert-butyl (2-methylpropan-2-yl)oxysulfonyloxy sulfate;silver

tert-butyl (2-methylpropan-2-yl)oxysulfonyloxy sulfate;silver (PubChem CID 175343710) has the molecular formula C8H18Ag2O8S2 and a molecular weight of 522.09 g/mol. Its IUPAC name is tert-butyl (2-methylpropan-2-yl)oxysulfonyloxy sulfate;silver.

Molecular Properties

Compound Nametert-butyl (2-methylpropan-2-yl)oxysulfonyloxy sulfate;silver
PubChem CID175343710
Molecular FormulaC8H18Ag2O8S2
Molecular Weight522.09 g/mol
Exact Mass519.85
IUPAC Nametert-butyl (2-methylpropan-2-yl)oxysulfonyloxy sulfate;silver
SMILESCC(C)(C)OS(=O)(=O)OOS(=O)(=O)OC(C)(C)C.[Ag].[Ag]
InChIInChI=1S/C8H18O8S2.2Ag/c1-7(2,3)13-17(9,10)15-16-18(11,12)14-8(4,5)6;;/h1-6H3;;
InChIKeyPXJPEJOABLEKRI-UHFFFAOYSA-N
XLogP1.05
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.09
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2-methylpropan-2-yl)oxysulfonyloxy sulfate;silver?
The IUPAC name of tert-butyl (2-methylpropan-2-yl)oxysulfonyloxy sulfate;silver (CID 175343710) is tert-butyl (2-methylpropan-2-yl)oxysulfonyloxy sulfate;silver.
What is the SMILES notation for tert-butyl (2-methylpropan-2-yl)oxysulfonyloxy sulfate;silver?
The canonical SMILES for tert-butyl (2-methylpropan-2-yl)oxysulfonyloxy sulfate;silver is CC(C)(C)OS(=O)(=O)OOS(=O)(=O)OC(C)(C)C.[Ag].[Ag].
What is the InChIKey of tert-butyl (2-methylpropan-2-yl)oxysulfonyloxy sulfate;silver?
The InChIKey is PXJPEJOABLEKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O8S2.2Ag/c1-7(2,3)13-17(9,10)15-16-18(11,12)14-8(4,5)6;;/h1-6H3;;.
What are the key properties of tert-butyl (2-methylpropan-2-yl)oxysulfonyloxy sulfate;silver?
tert-butyl (2-methylpropan-2-yl)oxysulfonyloxy sulfate;silver has a molecular weight of 522.09 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2-methylpropan-2-yl)oxysulfonyloxy sulfate;silver is sourced from PubChem (CID 175343710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).