barium(2+);bis(2-methoxyethanolate)

C6H14BaO4 — CID 14619879

IUPACbarium(2+);bis(2-methoxyethanolate)
SMILESCOCC[O-].COCC[O-].[Ba+2]
InChIInChI=1S/2C3H7O2.Ba/c2*1-5-3-2-4;/h2*2-3H2,1H3;/q2*-1;+2
InChIKeyXANLSKHNWPJDSZ-UHFFFAOYSA-N
MW287.50 g/mol
LogP-2.39
Rot. Bonds4

About barium(2+);bis(2-methoxyethanolate)

barium(2+);bis(2-methoxyethanolate) (PubChem CID 14619879) has the molecular formula C6H14BaO4 and a molecular weight of 287.50 g/mol. Its IUPAC name is barium(2+);bis(2-methoxyethanolate).

Molecular Properties

Compound Namebarium(2+);bis(2-methoxyethanolate)
PubChem CID14619879
Molecular FormulaC6H14BaO4
Molecular Weight287.50 g/mol
Exact Mass287.99
IUPAC Namebarium(2+);bis(2-methoxyethanolate)
SMILESCOCC[O-].COCC[O-].[Ba+2]
InChIInChI=1S/2C3H7O2.Ba/c2*1-5-3-2-4;/h2*2-3H2,1H3;/q2*-1;+2
InChIKeyXANLSKHNWPJDSZ-UHFFFAOYSA-N
XLogP-2.39
TPSA64.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.50
LogP ≤ 5-2.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze barium(2+);bis(2-methoxyethanolate) 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(2-methoxyethanolate)?
The IUPAC name of barium(2+);bis(2-methoxyethanolate) (CID 14619879) is barium(2+);bis(2-methoxyethanolate).
What is the SMILES notation for barium(2+);bis(2-methoxyethanolate)?
The canonical SMILES for barium(2+);bis(2-methoxyethanolate) is COCC[O-].COCC[O-].[Ba+2].
What is the InChIKey of barium(2+);bis(2-methoxyethanolate)?
The InChIKey is XANLSKHNWPJDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H7O2.Ba/c2*1-5-3-2-4;/h2*2-3H2,1H3;/q2*-1;+2.
What are the key properties of barium(2+);bis(2-methoxyethanolate)?
barium(2+);bis(2-methoxyethanolate) has a molecular weight of 287.50 g/mol, XLogP of -2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);bis(2-methoxyethanolate) is sourced from PubChem (CID 14619879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).