barium(2+);bis(propan-2-olate)

C6H14BaO2 — CID 6101105

IUPACbarium(2+);bis(propan-2-olate)
SMILESCC(C)[O-].CC(C)[O-].[Ba+2]
InChIInChI=1S/2C3H7O.Ba/c2*1-3(2)4;/h2*3H,1-2H3;/q2*-1;+2
InChIKeyCPUJSIVIXCTVEI-UHFFFAOYSA-N
MW255.50 g/mol
LogP-0.87
Rot. Bonds

About barium(2+);bis(propan-2-olate)

barium(2+);bis(propan-2-olate) (PubChem CID 6101105) has the molecular formula C6H14BaO2 and a molecular weight of 255.50 g/mol. Its IUPAC name is barium(2+);bis(propan-2-olate).

Molecular Properties

Compound Namebarium(2+);bis(propan-2-olate)
PubChem CID6101105
Molecular FormulaC6H14BaO2
Molecular Weight255.50 g/mol
Exact Mass256.00
IUPAC Namebarium(2+);bis(propan-2-olate)
SMILESCC(C)[O-].CC(C)[O-].[Ba+2]
InChIInChI=1S/2C3H7O.Ba/c2*1-3(2)4;/h2*3H,1-2H3;/q2*-1;+2
InChIKeyCPUJSIVIXCTVEI-UHFFFAOYSA-N
XLogP-0.87
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.50
LogP ≤ 5-0.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of barium(2+);bis(propan-2-olate)?
The IUPAC name of barium(2+);bis(propan-2-olate) (CID 6101105) is barium(2+);bis(propan-2-olate).
What is the SMILES notation for barium(2+);bis(propan-2-olate)?
The canonical SMILES for barium(2+);bis(propan-2-olate) is CC(C)[O-].CC(C)[O-].[Ba+2].
What is the InChIKey of barium(2+);bis(propan-2-olate)?
The InChIKey is CPUJSIVIXCTVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H7O.Ba/c2*1-3(2)4;/h2*3H,1-2H3;/q2*-1;+2.
What are the key properties of barium(2+);bis(propan-2-olate)?
barium(2+);bis(propan-2-olate) has a molecular weight of 255.50 g/mol, XLogP of -0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);bis(propan-2-olate) is sourced from PubChem (CID 6101105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).