barium(2+);bis(2-oxido-1,3,2lambda5-dioxaphospholane 2-oxide)

C4H8BaO8P2 — CID 13168504

IUPACbarium(2+);bis(2-oxido-1,3,2lambda5-dioxaphospholane 2-oxide)
SMILESO=P1([O-])OCCO1.O=P1([O-])OCCO1.[Ba+2]
InChIInChI=1S/2C2H5O4P.Ba/c2*3-7(4)5-1-2-6-7;/h2*1-2H2,(H,3,4);/q;;+2/p-2
InChIKeyWYSMYKFMZTZESN-UHFFFAOYSA-L
MW383.38 g/mol
LogP-1.38
Rot. Bonds

About barium(2+);bis(2-oxido-1,3,2lambda5-dioxaphospholane 2-oxide)

barium(2+);bis(2-oxido-1,3,2lambda5-dioxaphospholane 2-oxide) (PubChem CID 13168504) has the molecular formula C4H8BaO8P2 and a molecular weight of 383.38 g/mol. Its IUPAC name is barium(2+);bis(2-oxido-1,3,2lambda5-dioxaphospholane 2-oxide).

Molecular Properties

Compound Namebarium(2+);bis(2-oxido-1,3,2lambda5-dioxaphospholane 2-oxide)
PubChem CID13168504
Molecular FormulaC4H8BaO8P2
Molecular Weight383.38 g/mol
Exact Mass383.87
IUPAC Namebarium(2+);bis(2-oxido-1,3,2lambda5-dioxaphospholane 2-oxide)
SMILESO=P1([O-])OCCO1.O=P1([O-])OCCO1.[Ba+2]
InChIInChI=1S/2C2H5O4P.Ba/c2*3-7(4)5-1-2-6-7;/h2*1-2H2,(H,3,4);/q;;+2/p-2
InChIKeyWYSMYKFMZTZESN-UHFFFAOYSA-L
XLogP-1.38
TPSA117.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 5-1.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of barium(2+);bis(2-oxido-1,3,2lambda5-dioxaphospholane 2-oxide)?
The IUPAC name of barium(2+);bis(2-oxido-1,3,2lambda5-dioxaphospholane 2-oxide) (CID 13168504) is barium(2+);bis(2-oxido-1,3,2lambda5-dioxaphospholane 2-oxide).
What is the SMILES notation for barium(2+);bis(2-oxido-1,3,2lambda5-dioxaphospholane 2-oxide)?
The canonical SMILES for barium(2+);bis(2-oxido-1,3,2lambda5-dioxaphospholane 2-oxide) is O=P1([O-])OCCO1.O=P1([O-])OCCO1.[Ba+2].
What is the InChIKey of barium(2+);bis(2-oxido-1,3,2lambda5-dioxaphospholane 2-oxide)?
The InChIKey is WYSMYKFMZTZESN-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H5O4P.Ba/c2*3-7(4)5-1-2-6-7;/h2*1-2H2,(H,3,4);/q;;+2/p-2.
What are the key properties of barium(2+);bis(2-oxido-1,3,2lambda5-dioxaphospholane 2-oxide)?
barium(2+);bis(2-oxido-1,3,2lambda5-dioxaphospholane 2-oxide) has a molecular weight of 383.38 g/mol, XLogP of -1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);bis(2-oxido-1,3,2lambda5-dioxaphospholane 2-oxide) is sourced from PubChem (CID 13168504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).