CID 54611578

C4H11AlO4P — CID 54611578

IUPAC—
SMILESCCOP(=O)(O)OCC.[Al]
InChIInChI=1S/C4H11O4P.Al/c1-3-7-9(5,6)8-4-2;/h3-4H2,1-2H3,(H,5,6);
InChIKeyDUSMWJADHZNTKF-UHFFFAOYSA-N
MW181.08 g/mol
LogP0.78
Rot. Bonds4

About CID 54611578

CID 54611578 (PubChem CID 54611578) has the molecular formula C4H11AlO4P and a molecular weight of 181.08 g/mol.

Molecular Properties

Compound NameCID 54611578
PubChem CID54611578
Molecular FormulaC4H11AlO4P
Molecular Weight181.08 g/mol
Exact Mass181.02
IUPAC Name—
SMILESCCOP(=O)(O)OCC.[Al]
InChIInChI=1S/C4H11O4P.Al/c1-3-7-9(5,6)8-4-2;/h3-4H2,1-2H3,(H,5,6);
InChIKeyDUSMWJADHZNTKF-UHFFFAOYSA-N
XLogP0.78
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.08
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 54611578?
The IUPAC name of CID 54611578 (CID 54611578) is not available.
What is the SMILES notation for CID 54611578?
The canonical SMILES for CID 54611578 is CCOP(=O)(O)OCC.[Al].
What is the InChIKey of CID 54611578?
The InChIKey is DUSMWJADHZNTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O4P.Al/c1-3-7-9(5,6)8-4-2;/h3-4H2,1-2H3,(H,5,6);.
What are the key properties of CID 54611578?
CID 54611578 has a molecular weight of 181.08 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54611578 is sourced from PubChem (CID 54611578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).