bis(trimethylsilyl) [trimethylsilyloxy(trimethylsilylsulfanyl)phosphoryl] phosphate

C12H36O6P2SSi4 — CID 23420288

IUPACbis(trimethylsilyl) [trimethylsilyloxy(trimethylsilylsulfanyl)phosphoryl] phosphate
SMILESC[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)S[Si](C)(C)C
InChIInChI=1S/C12H36O6P2SSi4/c1-22(2,3)16-19(13,17-23(4,5)6)15-20(14,18-24(7,8)9)21-25(10,11)12/h1-12H3
InChIKeyTYCYSIKDMLODTG-UHFFFAOYSA-N
MW482.77 g/mol
LogP7.34
Rot. Bonds10

About bis(trimethylsilyl) [trimethylsilyloxy(trimethylsilylsulfanyl)phosphoryl] phosphate

bis(trimethylsilyl) [trimethylsilyloxy(trimethylsilylsulfanyl)phosphoryl] phosphate (PubChem CID 23420288) has the molecular formula C12H36O6P2SSi4 and a molecular weight of 482.77 g/mol. Its IUPAC name is bis(trimethylsilyl) [trimethylsilyloxy(trimethylsilylsulfanyl)phosphoryl] phosphate.

Molecular Properties

Compound Namebis(trimethylsilyl) [trimethylsilyloxy(trimethylsilylsulfanyl)phosphoryl] phosphate
PubChem CID23420288
Molecular FormulaC12H36O6P2SSi4
Molecular Weight482.77 g/mol
Exact Mass482.08
IUPAC Namebis(trimethylsilyl) [trimethylsilyloxy(trimethylsilylsulfanyl)phosphoryl] phosphate
SMILESC[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)S[Si](C)(C)C
InChIInChI=1S/C12H36O6P2SSi4/c1-22(2,3)16-19(13,17-23(4,5)6)15-20(14,18-24(7,8)9)21-25(10,11)12/h1-12H3
InChIKeyTYCYSIKDMLODTG-UHFFFAOYSA-N
XLogP7.34
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.77
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl) [trimethylsilyloxy(trimethylsilylsulfanyl)phosphoryl] phosphate?
The IUPAC name of bis(trimethylsilyl) [trimethylsilyloxy(trimethylsilylsulfanyl)phosphoryl] phosphate (CID 23420288) is bis(trimethylsilyl) [trimethylsilyloxy(trimethylsilylsulfanyl)phosphoryl] phosphate.
What is the SMILES notation for bis(trimethylsilyl) [trimethylsilyloxy(trimethylsilylsulfanyl)phosphoryl] phosphate?
The canonical SMILES for bis(trimethylsilyl) [trimethylsilyloxy(trimethylsilylsulfanyl)phosphoryl] phosphate is C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)S[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyl) [trimethylsilyloxy(trimethylsilylsulfanyl)phosphoryl] phosphate?
The InChIKey is TYCYSIKDMLODTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H36O6P2SSi4/c1-22(2,3)16-19(13,17-23(4,5)6)15-20(14,18-24(7,8)9)21-25(10,11)12/h1-12H3.
What are the key properties of bis(trimethylsilyl) [trimethylsilyloxy(trimethylsilylsulfanyl)phosphoryl] phosphate?
bis(trimethylsilyl) [trimethylsilyloxy(trimethylsilylsulfanyl)phosphoryl] phosphate has a molecular weight of 482.77 g/mol, XLogP of 7.34, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyl) [trimethylsilyloxy(trimethylsilylsulfanyl)phosphoryl] phosphate is sourced from PubChem (CID 23420288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).