cerium;dichloride;hexahydrate

H12CeCl2O6-2 — CID 172715335

IUPACcerium;dichloride;hexahydrate
SMILESO.O.O.O.O.O.[Ce].[Cl-].[Cl-]
InChIInChI=1S/Ce.2ClH.6H2O/h;2*1H;6*1H2/p-2
InChIKeyKHBMGDQZEFRMEJ-UHFFFAOYSA-L
MW319.11 g/mol
LogP-10.94
Rot. Bonds

About cerium;dichloride;hexahydrate

cerium;dichloride;hexahydrate (PubChem CID 172715335) has the molecular formula H12CeCl2O6-2 and a molecular weight of 319.11 g/mol. Its IUPAC name is cerium;dichloride;hexahydrate.

Molecular Properties

Compound Namecerium;dichloride;hexahydrate
PubChem CID172715335
Molecular FormulaH12CeCl2O6-2
Molecular Weight319.11 g/mol
Exact Mass317.91
IUPAC Namecerium;dichloride;hexahydrate
SMILESO.O.O.O.O.O.[Ce].[Cl-].[Cl-]
InChIInChI=1S/Ce.2ClH.6H2O/h;2*1H;6*1H2/p-2
InChIKeyKHBMGDQZEFRMEJ-UHFFFAOYSA-L
XLogP-10.94
TPSA189.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.11
LogP ≤ 5-10.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cerium;dichloride;hexahydrate?
The IUPAC name of cerium;dichloride;hexahydrate (CID 172715335) is cerium;dichloride;hexahydrate.
What is the SMILES notation for cerium;dichloride;hexahydrate?
The canonical SMILES for cerium;dichloride;hexahydrate is O.O.O.O.O.O.[Ce].[Cl-].[Cl-].
What is the InChIKey of cerium;dichloride;hexahydrate?
The InChIKey is KHBMGDQZEFRMEJ-UHFFFAOYSA-L. The full InChI is InChI=1S/Ce.2ClH.6H2O/h;2*1H;6*1H2/p-2.
What are the key properties of cerium;dichloride;hexahydrate?
cerium;dichloride;hexahydrate has a molecular weight of 319.11 g/mol, XLogP of -10.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cerium;dichloride;hexahydrate is sourced from PubChem (CID 172715335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).