bis[[ethoxy(oxo)phosphaniumyl]oxy]alumanyloxy-ethoxy-oxophosphanium

C6H15AlO9P3+3 — CID 16684782

IUPACbis[[ethoxy(oxo)phosphaniumyl]oxy]alumanyloxy-ethoxy-oxophosphanium
SMILESCCO[P+](=O)O[Al](O[P+](=O)OCC)O[P+](=O)OCC
InChIInChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3
InChIKeyOIPMQULDKWSNGX-UHFFFAOYSA-N
MW351.08 g/mol
LogP3.10
Rot. Bonds12

About bis[[ethoxy(oxo)phosphaniumyl]oxy]alumanyloxy-ethoxy-oxophosphanium

bis[[ethoxy(oxo)phosphaniumyl]oxy]alumanyloxy-ethoxy-oxophosphanium (PubChem CID 16684782) has the molecular formula C6H15AlO9P3+3 and a molecular weight of 351.08 g/mol. Its IUPAC name is bis[[ethoxy(oxo)phosphaniumyl]oxy]alumanyloxy-ethoxy-oxophosphanium.

Molecular Properties

Compound Namebis[[ethoxy(oxo)phosphaniumyl]oxy]alumanyloxy-ethoxy-oxophosphanium
PubChem CID16684782
Molecular FormulaC6H15AlO9P3+3
Molecular Weight351.08 g/mol
Exact Mass350.97
IUPAC Namebis[[ethoxy(oxo)phosphaniumyl]oxy]alumanyloxy-ethoxy-oxophosphanium
SMILESCCO[P+](=O)O[Al](O[P+](=O)OCC)O[P+](=O)OCC
InChIInChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3
InChIKeyOIPMQULDKWSNGX-UHFFFAOYSA-N
XLogP3.10
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.08
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis[[ethoxy(oxo)phosphaniumyl]oxy]alumanyloxy-ethoxy-oxophosphanium?
The IUPAC name of bis[[ethoxy(oxo)phosphaniumyl]oxy]alumanyloxy-ethoxy-oxophosphanium (CID 16684782) is bis[[ethoxy(oxo)phosphaniumyl]oxy]alumanyloxy-ethoxy-oxophosphanium.
What is the SMILES notation for bis[[ethoxy(oxo)phosphaniumyl]oxy]alumanyloxy-ethoxy-oxophosphanium?
The canonical SMILES for bis[[ethoxy(oxo)phosphaniumyl]oxy]alumanyloxy-ethoxy-oxophosphanium is CCO[P+](=O)O[Al](O[P+](=O)OCC)O[P+](=O)OCC.
What is the InChIKey of bis[[ethoxy(oxo)phosphaniumyl]oxy]alumanyloxy-ethoxy-oxophosphanium?
The InChIKey is OIPMQULDKWSNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3.
What are the key properties of bis[[ethoxy(oxo)phosphaniumyl]oxy]alumanyloxy-ethoxy-oxophosphanium?
bis[[ethoxy(oxo)phosphaniumyl]oxy]alumanyloxy-ethoxy-oxophosphanium has a molecular weight of 351.08 g/mol, XLogP of 3.10, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[ethoxy(oxo)phosphaniumyl]oxy]alumanyloxy-ethoxy-oxophosphanium is sourced from PubChem (CID 16684782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).