CID 59188706

C6H6BO3Pr3Si — CID 59188706

IUPAC—
SMILESOB(O)c1ccc(O[Si])cc1.[Pr].[Pr].[Pr]
InChIInChI=1S/C6H6BO3Si.3Pr/c8-7(9)5-1-3-6(10-11)4-2-5;;;/h1-4,8-9H;;;
InChIKeyNJHKNHSPTXRHIJ-UHFFFAOYSA-N
MW587.73 g/mol
LogP-1.17
Rot. Bonds2

About CID 59188706

CID 59188706 (PubChem CID 59188706) has the molecular formula C6H6BO3Pr3Si and a molecular weight of 587.73 g/mol.

Molecular Properties

Compound NameCID 59188706
PubChem CID59188706
Molecular FormulaC6H6BO3Pr3Si
Molecular Weight587.73 g/mol
Exact Mass587.74
IUPAC Name—
SMILESOB(O)c1ccc(O[Si])cc1.[Pr].[Pr].[Pr]
InChIInChI=1S/C6H6BO3Si.3Pr/c8-7(9)5-1-3-6(10-11)4-2-5;;;/h1-4,8-9H;;;
InChIKeyNJHKNHSPTXRHIJ-UHFFFAOYSA-N
XLogP-1.17
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.73
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 59188706?
The IUPAC name of CID 59188706 (CID 59188706) is not available.
What is the SMILES notation for CID 59188706?
The canonical SMILES for CID 59188706 is OB(O)c1ccc(O[Si])cc1.[Pr].[Pr].[Pr].
What is the InChIKey of CID 59188706?
The InChIKey is NJHKNHSPTXRHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BO3Si.3Pr/c8-7(9)5-1-3-6(10-11)4-2-5;;;/h1-4,8-9H;;;.
What are the key properties of CID 59188706?
CID 59188706 has a molecular weight of 587.73 g/mol, XLogP of -1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59188706 is sourced from PubChem (CID 59188706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).