bis(trimethylsilyloxy)phosphoryl bis(trimethylsilyl) phosphate

C12H36O7P2Si4 — CID 553982

IUPACbis(trimethylsilyloxy)phosphoryl bis(trimethylsilyl) phosphate
SMILESC[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C12H36O7P2Si4/c1-22(2,3)16-20(13,17-23(4,5)6)15-21(14,18-24(7,8)9)19-25(10,11)12/h1-12H3
InChIKeyJDZAIGYGOBAGGF-UHFFFAOYSA-N
MW466.71 g/mol
LogP6.63
Rot. Bonds10

About bis(trimethylsilyloxy)phosphoryl bis(trimethylsilyl) phosphate

bis(trimethylsilyloxy)phosphoryl bis(trimethylsilyl) phosphate (PubChem CID 553982) has the molecular formula C12H36O7P2Si4 and a molecular weight of 466.71 g/mol. Its IUPAC name is bis(trimethylsilyloxy)phosphoryl bis(trimethylsilyl) phosphate.

Molecular Properties

Compound Namebis(trimethylsilyloxy)phosphoryl bis(trimethylsilyl) phosphate
PubChem CID553982
Molecular FormulaC12H36O7P2Si4
Molecular Weight466.71 g/mol
Exact Mass466.10
IUPAC Namebis(trimethylsilyloxy)phosphoryl bis(trimethylsilyl) phosphate
SMILESC[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C12H36O7P2Si4/c1-22(2,3)16-20(13,17-23(4,5)6)15-21(14,18-24(7,8)9)19-25(10,11)12/h1-12H3
InChIKeyJDZAIGYGOBAGGF-UHFFFAOYSA-N
XLogP6.63
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.71
LogP ≤ 56.63
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(trimethylsilyloxy)phosphoryl bis(trimethylsilyl) phosphate?
The IUPAC name of bis(trimethylsilyloxy)phosphoryl bis(trimethylsilyl) phosphate (CID 553982) is bis(trimethylsilyloxy)phosphoryl bis(trimethylsilyl) phosphate.
What is the SMILES notation for bis(trimethylsilyloxy)phosphoryl bis(trimethylsilyl) phosphate?
The canonical SMILES for bis(trimethylsilyloxy)phosphoryl bis(trimethylsilyl) phosphate is C[Si](C)(C)OP(=O)(O[Si](C)(C)C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of bis(trimethylsilyloxy)phosphoryl bis(trimethylsilyl) phosphate?
The InChIKey is JDZAIGYGOBAGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H36O7P2Si4/c1-22(2,3)16-20(13,17-23(4,5)6)15-21(14,18-24(7,8)9)19-25(10,11)12/h1-12H3.
What are the key properties of bis(trimethylsilyloxy)phosphoryl bis(trimethylsilyl) phosphate?
bis(trimethylsilyloxy)phosphoryl bis(trimethylsilyl) phosphate has a molecular weight of 466.71 g/mol, XLogP of 6.63, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethylsilyloxy)phosphoryl bis(trimethylsilyl) phosphate is sourced from PubChem (CID 553982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).