bis(cerium(3+));4-methylpentan-2-one;tris(oxygen(2-))

C6H12Ce2O4 — CID 158984879

IUPACbis(cerium(3+));4-methylpentan-2-one;tris(oxygen(2-))
SMILESCC(=O)CC(C)C.[Ce+3].[Ce+3].[O-2].[O-2].[O-2]
InChIInChI=1S/C6H12O.2Ce.3O/c1-5(2)4-6(3)7;;;;;/h5H,4H2,1-3H3;;;;;/q;2*+3;3*-2
InChIKeyFLKXZASNDBTCMA-UHFFFAOYSA-N
MW428.39 g/mol
LogP1.27
Rot. Bonds2

About bis(cerium(3+));4-methylpentan-2-one;tris(oxygen(2-))

bis(cerium(3+));4-methylpentan-2-one;tris(oxygen(2-)) (PubChem CID 158984879) has the molecular formula C6H12Ce2O4 and a molecular weight of 428.39 g/mol. Its IUPAC name is bis(cerium(3+));4-methylpentan-2-one;tris(oxygen(2-)).

Molecular Properties

Compound Namebis(cerium(3+));4-methylpentan-2-one;tris(oxygen(2-))
PubChem CID158984879
Molecular FormulaC6H12Ce2O4
Molecular Weight428.39 g/mol
Exact Mass427.88
IUPAC Namebis(cerium(3+));4-methylpentan-2-one;tris(oxygen(2-))
SMILESCC(=O)CC(C)C.[Ce+3].[Ce+3].[O-2].[O-2].[O-2]
InChIInChI=1S/C6H12O.2Ce.3O/c1-5(2)4-6(3)7;;;;;/h5H,4H2,1-3H3;;;;;/q;2*+3;3*-2
InChIKeyFLKXZASNDBTCMA-UHFFFAOYSA-N
XLogP1.27
TPSA102.57 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.39
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bis(cerium(3+));4-methylpentan-2-one;tris(oxygen(2-))?
The IUPAC name of bis(cerium(3+));4-methylpentan-2-one;tris(oxygen(2-)) (CID 158984879) is bis(cerium(3+));4-methylpentan-2-one;tris(oxygen(2-)).
What is the SMILES notation for bis(cerium(3+));4-methylpentan-2-one;tris(oxygen(2-))?
The canonical SMILES for bis(cerium(3+));4-methylpentan-2-one;tris(oxygen(2-)) is CC(=O)CC(C)C.[Ce+3].[Ce+3].[O-2].[O-2].[O-2].
What is the InChIKey of bis(cerium(3+));4-methylpentan-2-one;tris(oxygen(2-))?
The InChIKey is FLKXZASNDBTCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.2Ce.3O/c1-5(2)4-6(3)7;;;;;/h5H,4H2,1-3H3;;;;;/q;2*+3;3*-2.
What are the key properties of bis(cerium(3+));4-methylpentan-2-one;tris(oxygen(2-))?
bis(cerium(3+));4-methylpentan-2-one;tris(oxygen(2-)) has a molecular weight of 428.39 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cerium(3+));4-methylpentan-2-one;tris(oxygen(2-)) is sourced from PubChem (CID 158984879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).