cerium;pentane-2,4-dione;hydrate

C5H10CeO3 — CID 86734909

IUPACcerium;pentane-2,4-dione;hydrate
SMILESCC(=O)CC(C)=O.O.[Ce]
InChIInChI=1S/C5H8O2.Ce.H2O/c1-4(6)3-5(2)7;;/h3H2,1-2H3;;1H2
InChIKeyVOSUUQCOMGVLQQ-UHFFFAOYSA-N
MW258.25 g/mol
LogP-0.27
Rot. Bonds2

About cerium;pentane-2,4-dione;hydrate

cerium;pentane-2,4-dione;hydrate (PubChem CID 86734909) has the molecular formula C5H10CeO3 and a molecular weight of 258.25 g/mol. Its IUPAC name is cerium;pentane-2,4-dione;hydrate.

Molecular Properties

Compound Namecerium;pentane-2,4-dione;hydrate
PubChem CID86734909
Molecular FormulaC5H10CeO3
Molecular Weight258.25 g/mol
Exact Mass257.97
IUPAC Namecerium;pentane-2,4-dione;hydrate
SMILESCC(=O)CC(C)=O.O.[Ce]
InChIInChI=1S/C5H8O2.Ce.H2O/c1-4(6)3-5(2)7;;/h3H2,1-2H3;;1H2
InChIKeyVOSUUQCOMGVLQQ-UHFFFAOYSA-N
XLogP-0.27
TPSA65.64 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

pentane-2,4-dione;titanium;tetrahydrate
CID 87923994
lanthanum;pentane-2,4-dione;dihydrate
CID 158849371
Lithium pentane-2,4-dione
CID 86735745
alumane;pentane-2,4-dione;zirconium;trihydrate
CID 173133313
CID 87579488
CID 87579488
CID 159548628
CID 159548628
CID 87073525
CID 87073525
ethane;tris(pentane-2,4-dione)
CID 158826280
molybdenum(4+);tetrakis(pentane-2,4-dione)
CID 11705952
barium(2+);pentane-2,4-dione
CID 23298949
potassium pentane-2,4-dione
CID 19762724
CID 15855332
CID 15855332

Frequently Asked Questions

What is the IUPAC name of cerium;pentane-2,4-dione;hydrate?
The IUPAC name of cerium;pentane-2,4-dione;hydrate (CID 86734909) is cerium;pentane-2,4-dione;hydrate.
What is the SMILES notation for cerium;pentane-2,4-dione;hydrate?
The canonical SMILES for cerium;pentane-2,4-dione;hydrate is CC(=O)CC(C)=O.O.[Ce].
What is the InChIKey of cerium;pentane-2,4-dione;hydrate?
The InChIKey is VOSUUQCOMGVLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.Ce.H2O/c1-4(6)3-5(2)7;;/h3H2,1-2H3;;1H2.
What are the key properties of cerium;pentane-2,4-dione;hydrate?
cerium;pentane-2,4-dione;hydrate has a molecular weight of 258.25 g/mol, XLogP of -0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cerium;pentane-2,4-dione;hydrate is sourced from PubChem (CID 86734909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).