cerium;diacetate;hydrate

C4H8CeO5-2 — CID 158213230

IUPACcerium;diacetate;hydrate
SMILESCC(=O)[O-].CC(=O)[O-].O.[Ce]
InChIInChI=1S/2C2H4O2.Ce.H2O/c2*1-2(3)4;;/h2*1H3,(H,3,4);;1H2/p-2
InChIKeyZECZBMPMQXRKBY-UHFFFAOYSA-L
MW276.22 g/mol
LogP-3.31
Rot. Bonds

About cerium;diacetate;hydrate

cerium;diacetate;hydrate (PubChem CID 158213230) has the molecular formula C4H8CeO5-2 and a molecular weight of 276.22 g/mol. Its IUPAC name is cerium;diacetate;hydrate.

Molecular Properties

Compound Namecerium;diacetate;hydrate
PubChem CID158213230
Molecular FormulaC4H8CeO5-2
Molecular Weight276.22 g/mol
Exact Mass275.94
IUPAC Namecerium;diacetate;hydrate
SMILESCC(=O)[O-].CC(=O)[O-].O.[Ce]
InChIInChI=1S/2C2H4O2.Ce.H2O/c2*1-2(3)4;;/h2*1H3,(H,3,4);;1H2/p-2
InChIKeyZECZBMPMQXRKBY-UHFFFAOYSA-L
XLogP-3.31
TPSA111.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 5-3.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 23158452
yttrium(3+);triacetate;hydrate
CID 57376990
vanadium;triacetate;hydrate
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CID 170997536
CID 170997536
praseodymium(3+);triacetate;trihydrate
CID 172733090
zinc;diacetate;heptahydrate
CID 161319738
iron(2+);diacetate;heptahydrate
CID 173209391
sodium;acetate;trihydrate
CID 23665404
tin(2+);diacetate;dihydrate
CID 174049693
strontium;acetate;hexahydrate
CID 19795582
cobalt(2+);acetate;hexahydrate
CID 21479533
uranium;hexaacetate;hydrate
CID 174392556

Frequently Asked Questions

What is the IUPAC name of cerium;diacetate;hydrate?
The IUPAC name of cerium;diacetate;hydrate (CID 158213230) is cerium;diacetate;hydrate.
What is the SMILES notation for cerium;diacetate;hydrate?
The canonical SMILES for cerium;diacetate;hydrate is CC(=O)[O-].CC(=O)[O-].O.[Ce].
What is the InChIKey of cerium;diacetate;hydrate?
The InChIKey is ZECZBMPMQXRKBY-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H4O2.Ce.H2O/c2*1-2(3)4;;/h2*1H3,(H,3,4);;1H2/p-2.
What are the key properties of cerium;diacetate;hydrate?
cerium;diacetate;hydrate has a molecular weight of 276.22 g/mol, XLogP of -3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cerium;diacetate;hydrate is sourced from PubChem (CID 158213230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).