CID 173365228

AlCl5MgO25 — CID 173365228

IUPAC—
SMILES[Al+3].[Mg+2].[O-]O[Cl+3]([O-])([O-])[O-].[O-]O[Cl+3]([O-])([O-])[O-].[O-]O[Cl+3]([O-])([O-])[O-].[O-]O[Cl+3]([O-])([O-])[O-].[O-]O[Cl+3]([O-])([O-])[O-]
InChIInChI=1S/Al.5ClHO5.Mg/c;5*2-1(3,4)6-5;/h;5*5H;/q+3;;;;;;+2/p-5
InChIKeyJCVVIOHSXMTYDE-UHFFFAOYSA-I
MW628.53 g/mol
LogP-24.88
Rot. Bonds5

About CID 173365228

CID 173365228 (PubChem CID 173365228) has the molecular formula AlCl5MgO25 and a molecular weight of 628.53 g/mol.

Molecular Properties

Compound NameCID 173365228
PubChem CID173365228
Molecular FormulaAlCl5MgO25
Molecular Weight628.53 g/mol
Exact Mass625.68
IUPAC Name—
SMILES[Al+3].[Mg+2].[O-]O[Cl+3]([O-])([O-])[O-].[O-]O[Cl+3]([O-])([O-])[O-].[O-]O[Cl+3]([O-])([O-])[O-].[O-]O[Cl+3]([O-])([O-])[O-].[O-]O[Cl+3]([O-])([O-])[O-]
InChIInChI=1S/Al.5ClHO5.Mg/c;5*2-1(3,4)6-5;/h;5*5H;/q+3;;;;;;+2/p-5
InChIKeyJCVVIOHSXMTYDE-UHFFFAOYSA-I
XLogP-24.88
TPSA507.35 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.53
LogP ≤ 5-24.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 173365228?
The IUPAC name of CID 173365228 (CID 173365228) is not available.
What is the SMILES notation for CID 173365228?
The canonical SMILES for CID 173365228 is [Al+3].[Mg+2].[O-]O[Cl+3]([O-])([O-])[O-].[O-]O[Cl+3]([O-])([O-])[O-].[O-]O[Cl+3]([O-])([O-])[O-].[O-]O[Cl+3]([O-])([O-])[O-].[O-]O[Cl+3]([O-])([O-])[O-].
What is the InChIKey of CID 173365228?
The InChIKey is JCVVIOHSXMTYDE-UHFFFAOYSA-I. The full InChI is InChI=1S/Al.5ClHO5.Mg/c;5*2-1(3,4)6-5;/h;5*5H;/q+3;;;;;;+2/p-5.
What are the key properties of CID 173365228?
CID 173365228 has a molecular weight of 628.53 g/mol, XLogP of -24.88, 5 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173365228 is sourced from PubChem (CID 173365228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).