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

C8H18BaO2 — CID 71310859

IUPACbarium(2+);bis(2-methylpropan-2-olate)
SMILESCC(C)(C)[O-].CC(C)(C)[O-].[Ba+2]
InChIInChI=1S/2C4H9O.Ba/c2*1-4(2,3)5;/h2*1-3H3;/q2*-1;+2
InChIKeySLPLCLDJTNLWPW-UHFFFAOYSA-N
MW283.56 g/mol
LogP-0.09
Rot. Bonds

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

barium(2+);bis(2-methylpropan-2-olate) (PubChem CID 71310859) has the molecular formula C8H18BaO2 and a molecular weight of 283.56 g/mol. Its IUPAC name is barium(2+);bis(2-methylpropan-2-olate).

Molecular Properties

Compound Namebarium(2+);bis(2-methylpropan-2-olate)
PubChem CID71310859
Molecular FormulaC8H18BaO2
Molecular Weight283.56 g/mol
Exact Mass284.04
IUPAC Namebarium(2+);bis(2-methylpropan-2-olate)
SMILESCC(C)(C)[O-].CC(C)(C)[O-].[Ba+2]
InChIInChI=1S/2C4H9O.Ba/c2*1-4(2,3)5;/h2*1-3H3;/q2*-1;+2
InChIKeySLPLCLDJTNLWPW-UHFFFAOYSA-N
XLogP-0.09
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.56
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of barium(2+);bis(2-methylpropan-2-olate)?
The IUPAC name of barium(2+);bis(2-methylpropan-2-olate) (CID 71310859) is barium(2+);bis(2-methylpropan-2-olate).
What is the SMILES notation for barium(2+);bis(2-methylpropan-2-olate)?
The canonical SMILES for barium(2+);bis(2-methylpropan-2-olate) is CC(C)(C)[O-].CC(C)(C)[O-].[Ba+2].
What is the InChIKey of barium(2+);bis(2-methylpropan-2-olate)?
The InChIKey is SLPLCLDJTNLWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9O.Ba/c2*1-4(2,3)5;/h2*1-3H3;/q2*-1;+2.
What are the key properties of barium(2+);bis(2-methylpropan-2-olate)?
barium(2+);bis(2-methylpropan-2-olate) has a molecular weight of 283.56 g/mol, XLogP of -0.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);bis(2-methylpropan-2-olate) is sourced from PubChem (CID 71310859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).