lanthanum;pentane-2,4-dione;dihydrate

C5H12LaO4 — CID 158849371

IUPAClanthanum;pentane-2,4-dione;dihydrate
SMILESCC(=O)CC(C)=O.O.O.[La]
InChIInChI=1S/C5H8O2.La.2H2O/c1-4(6)3-5(2)7;;;/h3H2,1-2H3;;2*1H2
InChIKeyDSZLPCKPJXZPDX-UHFFFAOYSA-N
MW275.05 g/mol
LogP-1.09
Rot. Bonds2

About lanthanum;pentane-2,4-dione;dihydrate

lanthanum;pentane-2,4-dione;dihydrate (PubChem CID 158849371) has the molecular formula C5H12LaO4 and a molecular weight of 275.05 g/mol. Its IUPAC name is lanthanum;pentane-2,4-dione;dihydrate.

Molecular Properties

Compound Namelanthanum;pentane-2,4-dione;dihydrate
PubChem CID158849371
Molecular FormulaC5H12LaO4
Molecular Weight275.05 g/mol
Exact Mass274.98
IUPAC Namelanthanum;pentane-2,4-dione;dihydrate
SMILESCC(=O)CC(C)=O.O.O.[La]
InChIInChI=1S/C5H8O2.La.2H2O/c1-4(6)3-5(2)7;;;/h3H2,1-2H3;;2*1H2
InChIKeyDSZLPCKPJXZPDX-UHFFFAOYSA-N
XLogP-1.09
TPSA97.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.05
LogP ≤ 5-1.09
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

cerium;pentane-2,4-dione;hydrate
CID 86734909
pentane-2,4-dione;titanium;tetrahydrate
CID 87923994
Lithium pentane-2,4-dione
CID 86735745
alumane;pentane-2,4-dione;zirconium;trihydrate
CID 173133313
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
potassium pentane-2,4-dione
CID 19762724
barium(2+);pentane-2,4-dione
CID 23298949
CID 15855332
CID 15855332
silver pentane-2,4-dione
CID 21252539

Frequently Asked Questions

What is the IUPAC name of lanthanum;pentane-2,4-dione;dihydrate?
The IUPAC name of lanthanum;pentane-2,4-dione;dihydrate (CID 158849371) is lanthanum;pentane-2,4-dione;dihydrate.
What is the SMILES notation for lanthanum;pentane-2,4-dione;dihydrate?
The canonical SMILES for lanthanum;pentane-2,4-dione;dihydrate is CC(=O)CC(C)=O.O.O.[La].
What is the InChIKey of lanthanum;pentane-2,4-dione;dihydrate?
The InChIKey is DSZLPCKPJXZPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.La.2H2O/c1-4(6)3-5(2)7;;;/h3H2,1-2H3;;2*1H2.
What are the key properties of lanthanum;pentane-2,4-dione;dihydrate?
lanthanum;pentane-2,4-dione;dihydrate has a molecular weight of 275.05 g/mol, XLogP of -1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lanthanum;pentane-2,4-dione;dihydrate is sourced from PubChem (CID 158849371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).