cerium;hexakis(2-methylpropan-2-olate)

C24H54CeO6-6 — CID 160781573

IUPACcerium;hexakis(2-methylpropan-2-olate)
SMILESCC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].[Ce]
InChIInChI=1S/6C4H9O.Ce/c6*1-4(2,3)5;/h6*1-3H3;/q6*-1;
InChIKeyMCZIAIGFAUBCLP-UHFFFAOYSA-N
MW578.81 g/mol
LogP0.87
Rot. Bonds

About cerium;hexakis(2-methylpropan-2-olate)

cerium;hexakis(2-methylpropan-2-olate) (PubChem CID 160781573) has the molecular formula C24H54CeO6-6 and a molecular weight of 578.81 g/mol. Its IUPAC name is cerium;hexakis(2-methylpropan-2-olate).

Molecular Properties

Compound Namecerium;hexakis(2-methylpropan-2-olate)
PubChem CID160781573
Molecular FormulaC24H54CeO6-6
Molecular Weight578.81 g/mol
Exact Mass578.30
IUPAC Namecerium;hexakis(2-methylpropan-2-olate)
SMILESCC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].[Ce]
InChIInChI=1S/6C4H9O.Ce/c6*1-4(2,3)5;/h6*1-3H3;/q6*-1;
InChIKeyMCZIAIGFAUBCLP-UHFFFAOYSA-N
XLogP0.87
TPSA138.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.81
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 131715162
potassium;gold;2-methylpropan-2-olate
CID 174888257
tris(2-methylpropan-2-olate);titanium(4+);hydroxide
CID 101188684
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CID 174911995
ditert-butylalumanylium;2-methylpropan-2-olate
CID 18400427
CID 136915932
CID 136915932
aluminum;2-methyl-2-oxidooxypropane;bis(2-methylpropan-2-olate)
CID 101066233
potassium;2-methylpropan-2-olate;methylsulfinylmethane
CID 87549036
magnesium;2-methylpropan-2-olate;prop-1-ene
CID 11400811
bis(2-methylpropan-2-olate);palladium(2+);bis(tritert-butylphosphane)
CID 174928811

Frequently Asked Questions

What is the IUPAC name of cerium;hexakis(2-methylpropan-2-olate)?
The IUPAC name of cerium;hexakis(2-methylpropan-2-olate) (CID 160781573) is cerium;hexakis(2-methylpropan-2-olate).
What is the SMILES notation for cerium;hexakis(2-methylpropan-2-olate)?
The canonical SMILES for cerium;hexakis(2-methylpropan-2-olate) is CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].[Ce].
What is the InChIKey of cerium;hexakis(2-methylpropan-2-olate)?
The InChIKey is MCZIAIGFAUBCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/6C4H9O.Ce/c6*1-4(2,3)5;/h6*1-3H3;/q6*-1;.
What are the key properties of cerium;hexakis(2-methylpropan-2-olate)?
cerium;hexakis(2-methylpropan-2-olate) has a molecular weight of 578.81 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cerium;hexakis(2-methylpropan-2-olate) is sourced from PubChem (CID 160781573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).