potassium;hexakis(propan-2-olate);tantalum(5+)

C18H42KO6Ta — CID 121233693

IUPACpotassium;hexakis(propan-2-olate);tantalum(5+)
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[K+].[Ta+5]
InChIInChI=1S/6C3H7O.K.Ta/c6*1-3(2)4;;/h6*3H,1-2H3;;/q6*-1;+1;+5
InChIKeyDGYDIVXTNROXOD-UHFFFAOYSA-N
MW574.57 g/mol
LogP-4.47
Rot. Bonds

About potassium;hexakis(propan-2-olate);tantalum(5+)

potassium;hexakis(propan-2-olate);tantalum(5+) (PubChem CID 121233693) has the molecular formula C18H42KO6Ta and a molecular weight of 574.57 g/mol. Its IUPAC name is potassium;hexakis(propan-2-olate);tantalum(5+).

Molecular Properties

Compound Namepotassium;hexakis(propan-2-olate);tantalum(5+)
PubChem CID121233693
Molecular FormulaC18H42KO6Ta
Molecular Weight574.57 g/mol
Exact Mass574.21
IUPAC Namepotassium;hexakis(propan-2-olate);tantalum(5+)
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[K+].[Ta+5]
InChIInChI=1S/6C3H7O.K.Ta/c6*1-3(2)4;;/h6*3H,1-2H3;;/q6*-1;+1;+5
InChIKeyDGYDIVXTNROXOD-UHFFFAOYSA-N
XLogP-4.47
TPSA138.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.57
LogP ≤ 5-4.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of potassium;hexakis(propan-2-olate);tantalum(5+)?
The IUPAC name of potassium;hexakis(propan-2-olate);tantalum(5+) (CID 121233693) is potassium;hexakis(propan-2-olate);tantalum(5+).
What is the SMILES notation for potassium;hexakis(propan-2-olate);tantalum(5+)?
The canonical SMILES for potassium;hexakis(propan-2-olate);tantalum(5+) is CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[K+].[Ta+5].
What is the InChIKey of potassium;hexakis(propan-2-olate);tantalum(5+)?
The InChIKey is DGYDIVXTNROXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/6C3H7O.K.Ta/c6*1-3(2)4;;/h6*3H,1-2H3;;/q6*-1;+1;+5.
What are the key properties of potassium;hexakis(propan-2-olate);tantalum(5+)?
potassium;hexakis(propan-2-olate);tantalum(5+) has a molecular weight of 574.57 g/mol, XLogP of -4.47, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hexakis(propan-2-olate);tantalum(5+) is sourced from PubChem (CID 121233693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).