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

C12H30BaCuO4 — CID 154700672

IUPACbarium(2+);copper;bis(propan-2-ol);bis(propan-2-olate)
SMILESCC(C)O.CC(C)O.CC(C)[O-].CC(C)[O-].[Ba+2].[Cu]
InChIInChI=1S/2C3H8O.2C3H7O.Ba.Cu/c4*1-3(2)4;;/h2*3-4H,1-2H3;2*3H,1-2H3;;/q;;2*-1;+2;
InChIKeyGDXKXWMROLGGSN-UHFFFAOYSA-N
MW439.24 g/mol
LogP-0.10
Rot. Bonds

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

barium(2+);copper;bis(propan-2-ol);bis(propan-2-olate) (PubChem CID 154700672) has the molecular formula C12H30BaCuO4 and a molecular weight of 439.24 g/mol. Its IUPAC name is barium(2+);copper;bis(propan-2-ol);bis(propan-2-olate).

Molecular Properties

Compound Namebarium(2+);copper;bis(propan-2-ol);bis(propan-2-olate)
PubChem CID154700672
Molecular FormulaC12H30BaCuO4
Molecular Weight439.24 g/mol
Exact Mass439.05
IUPAC Namebarium(2+);copper;bis(propan-2-ol);bis(propan-2-olate)
SMILESCC(C)O.CC(C)O.CC(C)[O-].CC(C)[O-].[Ba+2].[Cu]
InChIInChI=1S/2C3H8O.2C3H7O.Ba.Cu/c4*1-3(2)4;;/h2*3-4H,1-2H3;2*3H,1-2H3;;/q;;2*-1;+2;
InChIKeyGDXKXWMROLGGSN-UHFFFAOYSA-N
XLogP-0.10
TPSA86.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.24
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of barium(2+);copper;bis(propan-2-ol);bis(propan-2-olate)?
The IUPAC name of barium(2+);copper;bis(propan-2-ol);bis(propan-2-olate) (CID 154700672) is barium(2+);copper;bis(propan-2-ol);bis(propan-2-olate).
What is the SMILES notation for barium(2+);copper;bis(propan-2-ol);bis(propan-2-olate)?
The canonical SMILES for barium(2+);copper;bis(propan-2-ol);bis(propan-2-olate) is CC(C)O.CC(C)O.CC(C)[O-].CC(C)[O-].[Ba+2].[Cu].
What is the InChIKey of barium(2+);copper;bis(propan-2-ol);bis(propan-2-olate)?
The InChIKey is GDXKXWMROLGGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H8O.2C3H7O.Ba.Cu/c4*1-3(2)4;;/h2*3-4H,1-2H3;2*3H,1-2H3;;/q;;2*-1;+2;.
What are the key properties of barium(2+);copper;bis(propan-2-ol);bis(propan-2-olate)?
barium(2+);copper;bis(propan-2-ol);bis(propan-2-olate) has a molecular weight of 439.24 g/mol, XLogP of -0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);copper;bis(propan-2-ol);bis(propan-2-olate) is sourced from PubChem (CID 154700672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).