barium(2+);oxidooxymethane

C2H6BaO4 — CID 101085331

IUPACbarium(2+);oxidooxymethane
SMILESCO[O-].CO[O-].[Ba+2]
InChIInChI=1S/2CH4O2.Ba/c2*1-3-2;/h2*2H,1H3;/q;;+2/p-2
InChIKeyCOFXCTWKFIRYIK-UHFFFAOYSA-L
MW231.39 g/mol
LogP-2.56
Rot. Bonds

About barium(2+);oxidooxymethane

barium(2+);oxidooxymethane (PubChem CID 101085331) has the molecular formula C2H6BaO4 and a molecular weight of 231.39 g/mol. Its IUPAC name is barium(2+);oxidooxymethane.

Molecular Properties

Compound Namebarium(2+);oxidooxymethane
PubChem CID101085331
Molecular FormulaC2H6BaO4
Molecular Weight231.39 g/mol
Exact Mass231.93
IUPAC Namebarium(2+);oxidooxymethane
SMILESCO[O-].CO[O-].[Ba+2]
InChIInChI=1S/2CH4O2.Ba/c2*1-3-2;/h2*2H,1H3;/q;;+2/p-2
InChIKeyCOFXCTWKFIRYIK-UHFFFAOYSA-L
XLogP-2.56
TPSA64.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.39
LogP ≤ 5-2.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze barium(2+);oxidooxymethane with MolForge

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

Launch Full Analysis

Related Compounds

methoxy(oxidooxy)methane
CID 102170824
barium(2+);bis(2-methoxyethanolate)
CID 14619879
methylazanium;methyl phosphate
CID 141397686
barium(2+);bis(dimethyl phosphate)
CID 3835926
methoxymethane;hydrate
CID 18323453
CID 18688949
CID 18688949
λ2-plumbane;methoxymethane
CID 174743176
CID 172807343
CID 172807343
methoxymethane;titanium
CID 159442772
CID 160509220
CID 160509220
ethane;methoxymethane
CID 91263182
alumane;methoxymethane
CID 173236671

Frequently Asked Questions

What is the IUPAC name of barium(2+);oxidooxymethane?
The IUPAC name of barium(2+);oxidooxymethane (CID 101085331) is barium(2+);oxidooxymethane.
What is the SMILES notation for barium(2+);oxidooxymethane?
The canonical SMILES for barium(2+);oxidooxymethane is CO[O-].CO[O-].[Ba+2].
What is the InChIKey of barium(2+);oxidooxymethane?
The InChIKey is COFXCTWKFIRYIK-UHFFFAOYSA-L. The full InChI is InChI=1S/2CH4O2.Ba/c2*1-3-2;/h2*2H,1H3;/q;;+2/p-2.
What are the key properties of barium(2+);oxidooxymethane?
barium(2+);oxidooxymethane has a molecular weight of 231.39 g/mol, XLogP of -2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);oxidooxymethane is sourced from PubChem (CID 101085331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).