CID 22495127

Al2BBa2O15Si5 — CID 22495127

IUPAC—
SMILESO=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].[Al+3].[Al+3].[B].[Ba+2].[Ba+2]
InChIInChI=1S/2Al.B.2Ba.5O3Si/c;;;;;5*1-4(2)3/q2*+3;;2*+2;5*-2
InChIKeyBHEGOLPVRWBZNV-UHFFFAOYSA-N
MW719.85 g/mol
LogP-16.29
Rot. Bonds

About CID 22495127

CID 22495127 (PubChem CID 22495127) has the molecular formula Al2BBa2O15Si5 and a molecular weight of 719.85 g/mol.

Molecular Properties

Compound NameCID 22495127
PubChem CID22495127
Molecular FormulaAl2BBa2O15Si5
Molecular Weight719.85 g/mol
Exact Mass720.59
IUPAC Name—
SMILESO=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].[Al+3].[Al+3].[B].[Ba+2].[Ba+2]
InChIInChI=1S/2Al.B.2Ba.5O3Si/c;;;;;5*1-4(2)3/q2*+3;;2*+2;5*-2
InChIKeyBHEGOLPVRWBZNV-UHFFFAOYSA-N
XLogP-16.29
TPSA315.95 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.85
LogP ≤ 5-16.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

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Related Compounds

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aluminum;magnesium;sodium;dioxido(oxo)silane
CID 22348496
bis(arsenic(3+));tris(dioxido(oxo)silane)
CID 22024079
dioxido(oxo)silane;rhodium(2+)
CID 19598913
bis(dioxido(oxo)silane);molybdenum(4+)
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Frequently Asked Questions

What is the IUPAC name of CID 22495127?
The IUPAC name of CID 22495127 (CID 22495127) is not available.
What is the SMILES notation for CID 22495127?
The canonical SMILES for CID 22495127 is O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].[Al+3].[Al+3].[B].[Ba+2].[Ba+2].
What is the InChIKey of CID 22495127?
The InChIKey is BHEGOLPVRWBZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/2Al.B.2Ba.5O3Si/c;;;;;5*1-4(2)3/q2*+3;;2*+2;5*-2.
What are the key properties of CID 22495127?
CID 22495127 has a molecular weight of 719.85 g/mol, XLogP of -16.29, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22495127 is sourced from PubChem (CID 22495127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).