aluminum tris(1-phosphooxyethane)

C6H15AlO9P3+3 — CID 6328269

IUPACaluminum tris(1-phosphooxyethane)
SMILESCCOP(=O)=O.CCOP(=O)=O.CCOP(=O)=O.[Al+3]
InChIInChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3
InChIKeyOIPMQULDKWSNGX-UHFFFAOYSA-N
MW351.08 g/mol
LogP2.95
Rot. Bonds6

About aluminum tris(1-phosphooxyethane)

aluminum tris(1-phosphooxyethane) (PubChem CID 6328269) has the molecular formula C6H15AlO9P3+3 and a molecular weight of 351.08 g/mol. Its IUPAC name is aluminum tris(1-phosphooxyethane).

Molecular Properties

Compound Namealuminum tris(1-phosphooxyethane)
PubChem CID6328269
Molecular FormulaC6H15AlO9P3+3
Molecular Weight351.08 g/mol
Exact Mass350.97
IUPAC Namealuminum tris(1-phosphooxyethane)
SMILESCCOP(=O)=O.CCOP(=O)=O.CCOP(=O)=O.[Al+3]
InChIInChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3
InChIKeyOIPMQULDKWSNGX-UHFFFAOYSA-N
XLogP2.95
TPSA130.11 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.08
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze aluminum tris(1-phosphooxyethane) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of aluminum tris(1-phosphooxyethane)?
The IUPAC name of aluminum tris(1-phosphooxyethane) (CID 6328269) is aluminum tris(1-phosphooxyethane).
What is the SMILES notation for aluminum tris(1-phosphooxyethane)?
The canonical SMILES for aluminum tris(1-phosphooxyethane) is CCOP(=O)=O.CCOP(=O)=O.CCOP(=O)=O.[Al+3].
What is the InChIKey of aluminum tris(1-phosphooxyethane)?
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 aluminum tris(1-phosphooxyethane)?
aluminum tris(1-phosphooxyethane) has a molecular weight of 351.08 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum tris(1-phosphooxyethane) is sourced from PubChem (CID 6328269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).