3-acetylpentane-2,4-dione;hafnium

C7H10HfO3 — CID 87389102

IUPAC3-acetylpentane-2,4-dione;hafnium
SMILESCC(=O)C(C(C)=O)C(C)=O.[Hf]
InChIInChI=1S/C7H10O3.Hf/c1-4(8)7(5(2)9)6(3)10;/h7H,1-3H3;
InChIKeyOCEFLFMOAMSBKX-UHFFFAOYSA-N
MW320.64 g/mol
LogP0.37
Rot. Bonds3

About 3-acetylpentane-2,4-dione;hafnium

3-acetylpentane-2,4-dione;hafnium (PubChem CID 87389102) has the molecular formula C7H10HfO3 and a molecular weight of 320.64 g/mol. Its IUPAC name is 3-acetylpentane-2,4-dione;hafnium.

Molecular Properties

Compound Name3-acetylpentane-2,4-dione;hafnium
PubChem CID87389102
Molecular FormulaC7H10HfO3
Molecular Weight320.64 g/mol
Exact Mass322.01
IUPAC Name3-acetylpentane-2,4-dione;hafnium
SMILESCC(=O)C(C(C)=O)C(C)=O.[Hf]
InChIInChI=1S/C7H10O3.Hf/c1-4(8)7(5(2)9)6(3)10;/h7H,1-3H3;
InChIKeyOCEFLFMOAMSBKX-UHFFFAOYSA-N
XLogP0.37
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.64
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-acetylpentane-2,4-dione;propane;titanium(2+)
CID 87128903
3-acetylpentane-2,4-dione;bis(propan-1-ol);titanium
CID 159267821
2-acetyl-3-oxobutanoic acid;hydrate
CID 162326533
3-ethanethioylpentane-2,4-dione
CID 23346848
3-acetylpentane-2,4-dione;nickel;N,N,N',N'-tetramethylethane-1,2-diamine
CID 175602645
3-acetylpentane-2,4-dione;ethanone;2-methanidylpropane;tris(tungsten(2+))
CID 158556852
bis(2-acetyl-3-oxobutanoate);palladium(2+)
CID 22743604
2-acetylpropanedioic acid;azanide;methane;platinum(2+)
CID 158389858
(3-acetyl-4-oxopentan-2-ylidene)-oxidooxidanium
CID 141167384
3-(3,3-dimethylbut-1-en-2-yl)pentane-2,4-dione
CID 86081358
acetyl 2-acetyl-3-oxobutanoate;yttrium
CID 174647881
propan-2-one;sulfur monoxide
CID 21387950

Frequently Asked Questions

What is the IUPAC name of 3-acetylpentane-2,4-dione;hafnium?
The IUPAC name of 3-acetylpentane-2,4-dione;hafnium (CID 87389102) is 3-acetylpentane-2,4-dione;hafnium.
What is the SMILES notation for 3-acetylpentane-2,4-dione;hafnium?
The canonical SMILES for 3-acetylpentane-2,4-dione;hafnium is CC(=O)C(C(C)=O)C(C)=O.[Hf].
What is the InChIKey of 3-acetylpentane-2,4-dione;hafnium?
The InChIKey is OCEFLFMOAMSBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3.Hf/c1-4(8)7(5(2)9)6(3)10;/h7H,1-3H3;.
What are the key properties of 3-acetylpentane-2,4-dione;hafnium?
3-acetylpentane-2,4-dione;hafnium has a molecular weight of 320.64 g/mol, XLogP of 0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetylpentane-2,4-dione;hafnium is sourced from PubChem (CID 87389102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).