triethylsilyl dihydrogen phosphate

C6H17O4PSi — CID 18698902

IUPACtriethylsilyl dihydrogen phosphate
SMILESCC[Si](CC)(CC)OP(=O)(O)O
InChIInChI=1S/C6H17O4PSi/c1-4-12(5-2,6-3)10-11(7,8)9/h4-6H2,1-3H3,(H2,7,8,9)
InChIKeyZVGAVMNWZLXVSL-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.10
Rot. Bonds5

About triethylsilyl dihydrogen phosphate

triethylsilyl dihydrogen phosphate (PubChem CID 18698902) has the molecular formula C6H17O4PSi and a molecular weight of 212.26 g/mol. Its IUPAC name is triethylsilyl dihydrogen phosphate.

Molecular Properties

Compound Nametriethylsilyl dihydrogen phosphate
PubChem CID18698902
Molecular FormulaC6H17O4PSi
Molecular Weight212.26 g/mol
Exact Mass212.06
IUPAC Nametriethylsilyl dihydrogen phosphate
SMILESCC[Si](CC)(CC)OP(=O)(O)O
InChIInChI=1S/C6H17O4PSi/c1-4-12(5-2,6-3)10-11(7,8)9/h4-6H2,1-3H3,(H2,7,8,9)
InChIKeyZVGAVMNWZLXVSL-UHFFFAOYSA-N
XLogP2.10
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 triethylsilyl dihydrogen phosphate?
The IUPAC name of triethylsilyl dihydrogen phosphate (CID 18698902) is triethylsilyl dihydrogen phosphate.
What is the SMILES notation for triethylsilyl dihydrogen phosphate?
The canonical SMILES for triethylsilyl dihydrogen phosphate is CC[Si](CC)(CC)OP(=O)(O)O.
What is the InChIKey of triethylsilyl dihydrogen phosphate?
The InChIKey is ZVGAVMNWZLXVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17O4PSi/c1-4-12(5-2,6-3)10-11(7,8)9/h4-6H2,1-3H3,(H2,7,8,9).
What are the key properties of triethylsilyl dihydrogen phosphate?
triethylsilyl dihydrogen phosphate has a molecular weight of 212.26 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethylsilyl dihydrogen phosphate is sourced from PubChem (CID 18698902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).