ethyl-hydroperoxy-(2-trimethylsilyloxypropan-2-yl)sulfanium

C8H21O3SSi+ — CID 15444937

IUPACethyl-hydroperoxy-(2-trimethylsilyloxypropan-2-yl)sulfanium
SMILESCC[S+](OO)C(C)(C)O[Si](C)(C)C
InChIInChI=1S/C8H20O3SSi/c1-7-12(11-9)8(2,3)10-13(4,5)6/h7H2,1-6H3/p+1
InChIKeyOAVQXHMYDKPTGA-UHFFFAOYSA-O
MW225.41 g/mol
LogP2.62
Rot. Bonds5

About ethyl-hydroperoxy-(2-trimethylsilyloxypropan-2-yl)sulfanium

ethyl-hydroperoxy-(2-trimethylsilyloxypropan-2-yl)sulfanium (PubChem CID 15444937) has the molecular formula C8H21O3SSi+ and a molecular weight of 225.41 g/mol. Its IUPAC name is ethyl-hydroperoxy-(2-trimethylsilyloxypropan-2-yl)sulfanium.

Molecular Properties

Compound Nameethyl-hydroperoxy-(2-trimethylsilyloxypropan-2-yl)sulfanium
PubChem CID15444937
Molecular FormulaC8H21O3SSi+
Molecular Weight225.41 g/mol
Exact Mass225.10
IUPAC Nameethyl-hydroperoxy-(2-trimethylsilyloxypropan-2-yl)sulfanium
SMILESCC[S+](OO)C(C)(C)O[Si](C)(C)C
InChIInChI=1S/C8H20O3SSi/c1-7-12(11-9)8(2,3)10-13(4,5)6/h7H2,1-6H3/p+1
InChIKeyOAVQXHMYDKPTGA-UHFFFAOYSA-O
XLogP2.62
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'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 ethyl-hydroperoxy-(2-trimethylsilyloxypropan-2-yl)sulfanium?
The IUPAC name of ethyl-hydroperoxy-(2-trimethylsilyloxypropan-2-yl)sulfanium (CID 15444937) is ethyl-hydroperoxy-(2-trimethylsilyloxypropan-2-yl)sulfanium.
What is the SMILES notation for ethyl-hydroperoxy-(2-trimethylsilyloxypropan-2-yl)sulfanium?
The canonical SMILES for ethyl-hydroperoxy-(2-trimethylsilyloxypropan-2-yl)sulfanium is CC[S+](OO)C(C)(C)O[Si](C)(C)C.
What is the InChIKey of ethyl-hydroperoxy-(2-trimethylsilyloxypropan-2-yl)sulfanium?
The InChIKey is OAVQXHMYDKPTGA-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H20O3SSi/c1-7-12(11-9)8(2,3)10-13(4,5)6/h7H2,1-6H3/p+1.
What are the key properties of ethyl-hydroperoxy-(2-trimethylsilyloxypropan-2-yl)sulfanium?
ethyl-hydroperoxy-(2-trimethylsilyloxypropan-2-yl)sulfanium has a molecular weight of 225.41 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-hydroperoxy-(2-trimethylsilyloxypropan-2-yl)sulfanium is sourced from PubChem (CID 15444937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).