barium(2+);1,2-dichloroethane;oxido-oxo-phosphooxyphosphanium

C2H4BaCl2O5P2+2 — CID 88680050

IUPACbarium(2+);1,2-dichloroethane;oxido-oxo-phosphooxyphosphanium
SMILESClCCCl.O=[P+]([O-])O[P+](=O)[O-].[Ba+2]
InChIInChI=1S/C2H4Cl2.Ba.O5P2/c3-1-2-4;;1-6(2)5-7(3)4/h1-2H2;;/q;+2;
InChIKeyOEFJXXZJXRJWPJ-UHFFFAOYSA-N
MW378.23 g/mol
LogP0.12
Rot. Bonds3

About barium(2+);1,2-dichloroethane;oxido-oxo-phosphooxyphosphanium

barium(2+);1,2-dichloroethane;oxido-oxo-phosphooxyphosphanium (PubChem CID 88680050) has the molecular formula C2H4BaCl2O5P2+2 and a molecular weight of 378.23 g/mol. Its IUPAC name is barium(2+);1,2-dichloroethane;oxido-oxo-phosphooxyphosphanium.

Molecular Properties

Compound Namebarium(2+);1,2-dichloroethane;oxido-oxo-phosphooxyphosphanium
PubChem CID88680050
Molecular FormulaC2H4BaCl2O5P2+2
Molecular Weight378.23 g/mol
Exact Mass377.80
IUPAC Namebarium(2+);1,2-dichloroethane;oxido-oxo-phosphooxyphosphanium
SMILESClCCCl.O=[P+]([O-])O[P+](=O)[O-].[Ba+2]
InChIInChI=1S/C2H4Cl2.Ba.O5P2/c3-1-2-4;;1-6(2)5-7(3)4/h1-2H2;;/q;+2;
InChIKeyOEFJXXZJXRJWPJ-UHFFFAOYSA-N
XLogP0.12
TPSA89.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.23
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dipotassium;dichloromethane;oxido-oxo-phosphooxyphosphanium
CID 159198248
dichloromethane;hafnium(4+);bis(oxido-oxo-phosphooxyphosphanium)
CID 157120314
dichloromethane;bis(oxido-oxo-phosphooxyphosphanium);titanium(4+)
CID 159631897
beryllium;chloromethanol;oxido-oxo-phosphooxyphosphanium
CID 88722712
2-chloroethanol;oxido-oxo-phosphooxyphosphanium;silver
CID 88679163
barium(2+);dibromomethane;oxido-oxo-phosphooxyphosphanium
CID 88679802
calcium oxido-oxo-phosphooxyphosphanium
CID 172778798
trisodium;oxido-oxo-phosphooxyphosphanium
CID 158317183
magnesium oxido-oxo-phosphooxyphosphanium
CID 158072289
tris(oxido-oxo-phosphooxyphosphanium);bis(rhodium(3+))
CID 175590921
chloromethane;mercury(2+);oxido-oxo-phosphooxyphosphanium
CID 88679481
zinc;methanol;oxido-oxo-phosphooxyphosphanium
CID 88679931

Frequently Asked Questions

What is the IUPAC name of barium(2+);1,2-dichloroethane;oxido-oxo-phosphooxyphosphanium?
The IUPAC name of barium(2+);1,2-dichloroethane;oxido-oxo-phosphooxyphosphanium (CID 88680050) is barium(2+);1,2-dichloroethane;oxido-oxo-phosphooxyphosphanium.
What is the SMILES notation for barium(2+);1,2-dichloroethane;oxido-oxo-phosphooxyphosphanium?
The canonical SMILES for barium(2+);1,2-dichloroethane;oxido-oxo-phosphooxyphosphanium is ClCCCl.O=[P+]([O-])O[P+](=O)[O-].[Ba+2].
What is the InChIKey of barium(2+);1,2-dichloroethane;oxido-oxo-phosphooxyphosphanium?
The InChIKey is OEFJXXZJXRJWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4Cl2.Ba.O5P2/c3-1-2-4;;1-6(2)5-7(3)4/h1-2H2;;/q;+2;.
What are the key properties of barium(2+);1,2-dichloroethane;oxido-oxo-phosphooxyphosphanium?
barium(2+);1,2-dichloroethane;oxido-oxo-phosphooxyphosphanium has a molecular weight of 378.23 g/mol, XLogP of 0.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);1,2-dichloroethane;oxido-oxo-phosphooxyphosphanium is sourced from PubChem (CID 88680050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).