tris(trimethylsilyl) phosphate

C9H27O4PSi3 — CID 25317

IUPACtris(trimethylsilyl) phosphate
SMILESC[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C9H27O4PSi3/c1-15(2,3)11-14(10,12-16(4,5)6)13-17(7,8)9/h1-9H3
InChIKeyQJMMCGKXBZVAEI-UHFFFAOYSA-N
MW314.54 g/mol
LogP4.65
Rot. Bonds6

About tris(trimethylsilyl) phosphate

tris(trimethylsilyl) phosphate (PubChem CID 25317) has the molecular formula C9H27O4PSi3 and a molecular weight of 314.54 g/mol. Its IUPAC name is tris(trimethylsilyl) phosphate.

Molecular Properties

Compound Nametris(trimethylsilyl) phosphate
PubChem CID25317
Molecular FormulaC9H27O4PSi3
Molecular Weight314.54 g/mol
Exact Mass314.10
IUPAC Nametris(trimethylsilyl) phosphate
SMILESC[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C9H27O4PSi3/c1-15(2,3)11-14(10,12-16(4,5)6)13-17(7,8)9/h1-9H3
InChIKeyQJMMCGKXBZVAEI-UHFFFAOYSA-N
XLogP4.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Tris(trimethylsilyl) phosphite
CID 137213
Bis(Trimethylsilyl) Hydrogen Phosphate
CID 4179907
Phosphonic acid, methyl-, bis(trimethylsilyl) ester
CID 519542
Bis(trimethylsilyloxy)phosphoryl bis(trimethylsilyl) phosphate
CID 553982
Bis(trimethylsilyl) phosphonate
CID 6379678
Bis(trimethylsilyl)chlorophosphate
CID 13465778
Oxo-trimethylsilyl-trimethylsilyloxyphosphanium
CID 87383446
Phosphonic acid, methylenebis-, tetrakis(trimethylsilyl) ester
CID 635053
[Bromo(trimethylsilyloxy)phosphoryl]oxy-trimethylsilane
CID 14383265
[Iodo(trimethylsilyloxy)phosphoryl]oxy-trimethylsilane
CID 174047796
Bis[bis(trimethylsilyloxy)phosphoryl] trimethylsilyl phosphate
CID 13249622
Thiodiphosphoric acid ((HO)2P(O)OP(O)(OH)(SH)), tetrakis(trimethylsilyl) ester
CID 23420288

Frequently Asked Questions

What is the IUPAC name of tris(trimethylsilyl) phosphate?
The IUPAC name of tris(trimethylsilyl) phosphate (CID 25317) is tris(trimethylsilyl) phosphate.
What is the SMILES notation for tris(trimethylsilyl) phosphate?
The canonical SMILES for tris(trimethylsilyl) phosphate is C[Si](C)(C)OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of tris(trimethylsilyl) phosphate?
The InChIKey is QJMMCGKXBZVAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H27O4PSi3/c1-15(2,3)11-14(10,12-16(4,5)6)13-17(7,8)9/h1-9H3.
What are the key properties of tris(trimethylsilyl) phosphate?
tris(trimethylsilyl) phosphate has a molecular weight of 314.54 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(trimethylsilyl) phosphate is sourced from PubChem (CID 25317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).