CID 174479625

BCa2O4Si — CID 174479625

IUPAC—
SMILES[B].[Ca+2].[Ca+2].[O-][Si]([O-])([O-])[O-]
InChIInChI=1S/B.2Ca.O4Si/c;;;1-5(2,3)4/q;2*+2;-4
InChIKeyCLGNZTWHGGXZJL-UHFFFAOYSA-N
MW183.05 g/mol
LogP-6.28
Rot. Bonds

About CID 174479625

CID 174479625 (PubChem CID 174479625) has the molecular formula BCa2O4Si and a molecular weight of 183.05 g/mol.

Molecular Properties

Compound NameCID 174479625
PubChem CID174479625
Molecular FormulaBCa2O4Si
Molecular Weight183.05 g/mol
Exact Mass182.89
IUPAC Name—
SMILES[B].[Ca+2].[Ca+2].[O-][Si]([O-])([O-])[O-]
InChIInChI=1S/B.2Ca.O4Si/c;;;1-5(2,3)4/q;2*+2;-4
InChIKeyCLGNZTWHGGXZJL-UHFFFAOYSA-N
XLogP-6.28
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.05
LogP ≤ 5-6.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 174479625?
The IUPAC name of CID 174479625 (CID 174479625) is not available.
What is the SMILES notation for CID 174479625?
The canonical SMILES for CID 174479625 is [B].[Ca+2].[Ca+2].[O-][Si]([O-])([O-])[O-].
What is the InChIKey of CID 174479625?
The InChIKey is CLGNZTWHGGXZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/B.2Ca.O4Si/c;;;1-5(2,3)4/q;2*+2;-4.
What are the key properties of CID 174479625?
CID 174479625 has a molecular weight of 183.05 g/mol, XLogP of -6.28, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174479625 is sourced from PubChem (CID 174479625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).