bromo(triethoxy)phosphanium

C6H15BrO3P+ — CID 23414962

IUPACbromo(triethoxy)phosphanium
SMILESCCO[P+](Br)(OCC)OCC
InChIInChI=1S/C6H15BrO3P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3/q+1
InChIKeyNPUZELTWCUCFEJ-UHFFFAOYSA-N
MW246.06 g/mol
LogP3.17
Rot. Bonds6

About bromo(triethoxy)phosphanium

bromo(triethoxy)phosphanium (PubChem CID 23414962) has the molecular formula C6H15BrO3P+ and a molecular weight of 246.06 g/mol. Its IUPAC name is bromo(triethoxy)phosphanium.

Molecular Properties

Compound Namebromo(triethoxy)phosphanium
PubChem CID23414962
Molecular FormulaC6H15BrO3P+
Molecular Weight246.06 g/mol
Exact Mass244.99
IUPAC Namebromo(triethoxy)phosphanium
SMILESCCO[P+](Br)(OCC)OCC
InChIInChI=1S/C6H15BrO3P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3/q+1
InChIKeyNPUZELTWCUCFEJ-UHFFFAOYSA-N
XLogP3.17
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.06
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bromo(triethoxy)phosphanium?
The IUPAC name of bromo(triethoxy)phosphanium (CID 23414962) is bromo(triethoxy)phosphanium.
What is the SMILES notation for bromo(triethoxy)phosphanium?
The canonical SMILES for bromo(triethoxy)phosphanium is CCO[P+](Br)(OCC)OCC.
What is the InChIKey of bromo(triethoxy)phosphanium?
The InChIKey is NPUZELTWCUCFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15BrO3P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3/q+1.
What are the key properties of bromo(triethoxy)phosphanium?
bromo(triethoxy)phosphanium has a molecular weight of 246.06 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bromo(triethoxy)phosphanium is sourced from PubChem (CID 23414962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).