alumane;pentane-2,4-dione;zirconium;trihydrate

C5H17AlO5Zr — CID 173133313

IUPACalumane;pentane-2,4-dione;zirconium;trihydrate
SMILESCC(=O)CC(C)=O.O.O.O.[AlH3].[Zr]
InChIInChI=1S/C5H8O2.Al.3H2O.Zr.3H/c1-4(6)3-5(2)7;;;;;;;;/h3H2,1-2H3;;3*1H2;;;;
InChIKeyPPCTVVIJGIMZHV-UHFFFAOYSA-N
MW275.39 g/mol
LogP-3.11
Rot. Bonds2

About alumane;pentane-2,4-dione;zirconium;trihydrate

alumane;pentane-2,4-dione;zirconium;trihydrate (PubChem CID 173133313) has the molecular formula C5H17AlO5Zr and a molecular weight of 275.39 g/mol. Its IUPAC name is alumane;pentane-2,4-dione;zirconium;trihydrate.

Molecular Properties

Compound Namealumane;pentane-2,4-dione;zirconium;trihydrate
PubChem CID173133313
Molecular FormulaC5H17AlO5Zr
Molecular Weight275.39 g/mol
Exact Mass273.99
IUPAC Namealumane;pentane-2,4-dione;zirconium;trihydrate
SMILESCC(=O)CC(C)=O.O.O.O.[AlH3].[Zr]
InChIInChI=1S/C5H8O2.Al.3H2O.Zr.3H/c1-4(6)3-5(2)7;;;;;;;;/h3H2,1-2H3;;3*1H2;;;;
InChIKeyPPCTVVIJGIMZHV-UHFFFAOYSA-N
XLogP-3.11
TPSA128.64 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 5-3.11
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
lanthanum;pentane-2,4-dione;dihydrate
CID 158849371
Lithium pentane-2,4-dione
CID 86735745
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 alumane;pentane-2,4-dione;zirconium;trihydrate?
The IUPAC name of alumane;pentane-2,4-dione;zirconium;trihydrate (CID 173133313) is alumane;pentane-2,4-dione;zirconium;trihydrate.
What is the SMILES notation for alumane;pentane-2,4-dione;zirconium;trihydrate?
The canonical SMILES for alumane;pentane-2,4-dione;zirconium;trihydrate is CC(=O)CC(C)=O.O.O.O.[AlH3].[Zr].
What is the InChIKey of alumane;pentane-2,4-dione;zirconium;trihydrate?
The InChIKey is PPCTVVIJGIMZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.Al.3H2O.Zr.3H/c1-4(6)3-5(2)7;;;;;;;;/h3H2,1-2H3;;3*1H2;;;;.
What are the key properties of alumane;pentane-2,4-dione;zirconium;trihydrate?
alumane;pentane-2,4-dione;zirconium;trihydrate has a molecular weight of 275.39 g/mol, XLogP of -3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;pentane-2,4-dione;zirconium;trihydrate is sourced from PubChem (CID 173133313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).