oxo-bis[tris(trimethylsilyloxy)silyloxy]phosphanium

C18H54O9PSi8+ — CID 87716434

IUPACoxo-bis[tris(trimethylsilyloxy)silyloxy]phosphanium
SMILESC[Si](C)(C)O[Si](O[P+](=O)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C18H54O9PSi8/c1-29(2,3)22-35(23-30(4,5)6,24-31(7,8)9)20-28(19)21-36(25-32(10,11)12,26-33(13,14)15)27-34(16,17)18/h1-18H3/q+1
InChIKeyXLRZABUCYRQVDH-UHFFFAOYSA-N
MW670.28 g/mol
LogP7.66
Rot. Bonds16

About oxo-bis[tris(trimethylsilyloxy)silyloxy]phosphanium

oxo-bis[tris(trimethylsilyloxy)silyloxy]phosphanium (PubChem CID 87716434) has the molecular formula C18H54O9PSi8+ and a molecular weight of 670.28 g/mol. Its IUPAC name is oxo-bis[tris(trimethylsilyloxy)silyloxy]phosphanium.

Molecular Properties

Compound Nameoxo-bis[tris(trimethylsilyloxy)silyloxy]phosphanium
PubChem CID87716434
Molecular FormulaC18H54O9PSi8+
Molecular Weight670.28 g/mol
Exact Mass669.17
IUPAC Nameoxo-bis[tris(trimethylsilyloxy)silyloxy]phosphanium
SMILESC[Si](C)(C)O[Si](O[P+](=O)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C18H54O9PSi8/c1-29(2,3)22-35(23-30(4,5)6,24-31(7,8)9)20-28(19)21-36(25-32(10,11)12,26-33(13,14)15)27-34(16,17)18/h1-18H3/q+1
InChIKeyXLRZABUCYRQVDH-UHFFFAOYSA-N
XLogP7.66
TPSA90.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.28
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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 oxo-bis[tris(trimethylsilyloxy)silyloxy]phosphanium?
The IUPAC name of oxo-bis[tris(trimethylsilyloxy)silyloxy]phosphanium (CID 87716434) is oxo-bis[tris(trimethylsilyloxy)silyloxy]phosphanium.
What is the SMILES notation for oxo-bis[tris(trimethylsilyloxy)silyloxy]phosphanium?
The canonical SMILES for oxo-bis[tris(trimethylsilyloxy)silyloxy]phosphanium is C[Si](C)(C)O[Si](O[P+](=O)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of oxo-bis[tris(trimethylsilyloxy)silyloxy]phosphanium?
The InChIKey is XLRZABUCYRQVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H54O9PSi8/c1-29(2,3)22-35(23-30(4,5)6,24-31(7,8)9)20-28(19)21-36(25-32(10,11)12,26-33(13,14)15)27-34(16,17)18/h1-18H3/q+1.
What are the key properties of oxo-bis[tris(trimethylsilyloxy)silyloxy]phosphanium?
oxo-bis[tris(trimethylsilyloxy)silyloxy]phosphanium has a molecular weight of 670.28 g/mol, XLogP of 7.66, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-bis[tris(trimethylsilyloxy)silyloxy]phosphanium is sourced from PubChem (CID 87716434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).