Potassium hydro(triisopropoxy)borate

C9H21BKO3 — CID 23684572

IUPAC—
SMILESCC(C)O[B-](OC(C)C)OC(C)C.[K+]
InChIInChI=1S/C9H21BO3.K/c1-7(2)11-10(12-8(3)4)13-9(5)6;/h7-9H,1-6H3;/q-1;+1
InChIKeyRJPHVOPLKWDQOU-UHFFFAOYSA-N
MW227.17 g/mol
LogP-0.75
Rot. Bonds6

About Potassium hydro(triisopropoxy)borate

Potassium hydro(triisopropoxy)borate (PubChem CID 23684572) has the molecular formula C9H21BKO3 and a molecular weight of 227.17 g/mol.

Molecular Properties

Compound NamePotassium hydro(triisopropoxy)borate
PubChem CID23684572
Molecular FormulaC9H21BKO3
Molecular Weight227.17 g/mol
Exact Mass227.12
IUPAC Name—
SMILESCC(C)O[B-](OC(C)C)OC(C)C.[K+]
InChIInChI=1S/C9H21BO3.K/c1-7(2)11-10(12-8(3)4)13-9(5)6;/h7-9H,1-6H3;/q-1;+1
InChIKeyRJPHVOPLKWDQOU-UHFFFAOYSA-N
XLogP-0.75
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.17
LogP ≤ 5-0.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze Potassium hydro(triisopropoxy)borate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of Potassium hydro(triisopropoxy)borate?
The IUPAC name of Potassium hydro(triisopropoxy)borate (CID 23684572) is not available.
What is the SMILES notation for Potassium hydro(triisopropoxy)borate?
The canonical SMILES for Potassium hydro(triisopropoxy)borate is CC(C)O[B-](OC(C)C)OC(C)C.[K+].
What is the InChIKey of Potassium hydro(triisopropoxy)borate?
The InChIKey is RJPHVOPLKWDQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21BO3.K/c1-7(2)11-10(12-8(3)4)13-9(5)6;/h7-9H,1-6H3;/q-1;+1.
What are the key properties of Potassium hydro(triisopropoxy)borate?
Potassium hydro(triisopropoxy)borate has a molecular weight of 227.17 g/mol, XLogP of -0.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Potassium hydro(triisopropoxy)borate is sourced from PubChem (CID 23684572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).