barium(2+);ethanolate;methanolate

C3H8BaO2 — CID 18408052

IUPACbarium(2+);ethanolate;methanolate
SMILESCC[O-].C[O-].[Ba+2]
InChIInChI=1S/C2H5O.CH3O.Ba/c1-2-3;1-2;/h2H2,1H3;1H3;/q2*-1;+2
InChIKeyKOUCNJHPGUKZJZ-UHFFFAOYSA-N
MW213.42 g/mol
LogP-2.04
Rot. Bonds

About barium(2+);ethanolate;methanolate

barium(2+);ethanolate;methanolate (PubChem CID 18408052) has the molecular formula C3H8BaO2 and a molecular weight of 213.42 g/mol. Its IUPAC name is barium(2+);ethanolate;methanolate.

Molecular Properties

Compound Namebarium(2+);ethanolate;methanolate
PubChem CID18408052
Molecular FormulaC3H8BaO2
Molecular Weight213.42 g/mol
Exact Mass213.96
IUPAC Namebarium(2+);ethanolate;methanolate
SMILESCC[O-].C[O-].[Ba+2]
InChIInChI=1S/C2H5O.CH3O.Ba/c1-2-3;1-2;/h2H2,1H3;1H3;/q2*-1;+2
InChIKeyKOUCNJHPGUKZJZ-UHFFFAOYSA-N
XLogP-2.04
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.42
LogP ≤ 5-2.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze barium(2+);ethanolate;methanolate 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+);ethanolate;methanolate?
The IUPAC name of barium(2+);ethanolate;methanolate (CID 18408052) is barium(2+);ethanolate;methanolate.
What is the SMILES notation for barium(2+);ethanolate;methanolate?
The canonical SMILES for barium(2+);ethanolate;methanolate is CC[O-].C[O-].[Ba+2].
What is the InChIKey of barium(2+);ethanolate;methanolate?
The InChIKey is KOUCNJHPGUKZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5O.CH3O.Ba/c1-2-3;1-2;/h2H2,1H3;1H3;/q2*-1;+2.
What are the key properties of barium(2+);ethanolate;methanolate?
barium(2+);ethanolate;methanolate has a molecular weight of 213.42 g/mol, XLogP of -2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);ethanolate;methanolate is sourced from PubChem (CID 18408052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).