barium(2+);bis(hafnium(4+));nonakis(propan-2-olate);iodide

C27H63BaHf2IO9 — CID 139143845

IUPACbarium(2+);bis(hafnium(4+));nonakis(propan-2-olate);iodide
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ba+2].[Hf+4].[Hf+4].[I-]
InChIInChI=1S/9C3H7O.Ba.2Hf.HI/c9*1-3(2)4;;;;/h9*3H,1-2H3;;;;1H/q9*-1;+2;2*+4;/p-1
InChIKeyRCGUVFJZMHAJAS-UHFFFAOYSA-M
MW1153.00 g/mol
LogP-5.59
Rot. Bonds

About barium(2+);bis(hafnium(4+));nonakis(propan-2-olate);iodide

barium(2+);bis(hafnium(4+));nonakis(propan-2-olate);iodide (PubChem CID 139143845) has the molecular formula C27H63BaHf2IO9 and a molecular weight of 1153.00 g/mol. Its IUPAC name is barium(2+);bis(hafnium(4+));nonakis(propan-2-olate);iodide.

Molecular Properties

Compound Namebarium(2+);bis(hafnium(4+));nonakis(propan-2-olate);iodide
PubChem CID139143845
Molecular FormulaC27H63BaHf2IO9
Molecular Weight1153.00 g/mol
Exact Mass1156.15
IUPAC Namebarium(2+);bis(hafnium(4+));nonakis(propan-2-olate);iodide
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ba+2].[Hf+4].[Hf+4].[I-]
InChIInChI=1S/9C3H7O.Ba.2Hf.HI/c9*1-3(2)4;;;;/h9*3H,1-2H3;;;;1H/q9*-1;+2;2*+4;/p-1
InChIKeyRCGUVFJZMHAJAS-UHFFFAOYSA-M
XLogP-5.59
TPSA207.54 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001153.00
LogP ≤ 5-5.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze barium(2+);bis(hafnium(4+));nonakis(propan-2-olate);iodide 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 barium(2+);bis(hafnium(4+));nonakis(propan-2-olate);iodide?
The IUPAC name of barium(2+);bis(hafnium(4+));nonakis(propan-2-olate);iodide (CID 139143845) is barium(2+);bis(hafnium(4+));nonakis(propan-2-olate);iodide.
What is the SMILES notation for barium(2+);bis(hafnium(4+));nonakis(propan-2-olate);iodide?
The canonical SMILES for barium(2+);bis(hafnium(4+));nonakis(propan-2-olate);iodide is CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ba+2].[Hf+4].[Hf+4].[I-].
What is the InChIKey of barium(2+);bis(hafnium(4+));nonakis(propan-2-olate);iodide?
The InChIKey is RCGUVFJZMHAJAS-UHFFFAOYSA-M. The full InChI is InChI=1S/9C3H7O.Ba.2Hf.HI/c9*1-3(2)4;;;;/h9*3H,1-2H3;;;;1H/q9*-1;+2;2*+4;/p-1.
What are the key properties of barium(2+);bis(hafnium(4+));nonakis(propan-2-olate);iodide?
barium(2+);bis(hafnium(4+));nonakis(propan-2-olate);iodide has a molecular weight of 1153.00 g/mol, XLogP of -5.59, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);bis(hafnium(4+));nonakis(propan-2-olate);iodide is sourced from PubChem (CID 139143845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).