dialuminum;non-3-en-2-one;tris(oxygen(2-))

C9H16Al2O4 — CID 158998324

IUPACdialuminum;non-3-en-2-one;tris(oxygen(2-))
SMILESCCCCCC=CC(C)=O.[Al+3].[Al+3].[O-2].[O-2].[O-2]
InChIInChI=1S/C9H16O.2Al.3O/c1-3-4-5-6-7-8-9(2)10;;;;;/h7-8H,3-6H2,1-2H3;;;;;/q;2*+3;3*-2
InChIKeyIBUUKSADZAJQRK-UHFFFAOYSA-N
MW242.19 g/mol
LogP1.59
Rot. Bonds5

About dialuminum;non-3-en-2-one;tris(oxygen(2-))

dialuminum;non-3-en-2-one;tris(oxygen(2-)) (PubChem CID 158998324) has the molecular formula C9H16Al2O4 and a molecular weight of 242.19 g/mol. Its IUPAC name is dialuminum;non-3-en-2-one;tris(oxygen(2-)).

Molecular Properties

Compound Namedialuminum;non-3-en-2-one;tris(oxygen(2-))
PubChem CID158998324
Molecular FormulaC9H16Al2O4
Molecular Weight242.19 g/mol
Exact Mass242.07
IUPAC Namedialuminum;non-3-en-2-one;tris(oxygen(2-))
SMILESCCCCCC=CC(C)=O.[Al+3].[Al+3].[O-2].[O-2].[O-2]
InChIInChI=1S/C9H16O.2Al.3O/c1-3-4-5-6-7-8-9(2)10;;;;;/h7-8H,3-6H2,1-2H3;;;;;/q;2*+3;3*-2
InChIKeyIBUUKSADZAJQRK-UHFFFAOYSA-N
XLogP1.59
TPSA102.57 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.19
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dialuminum;non-3-en-2-one;tris(oxygen(2-))?
The IUPAC name of dialuminum;non-3-en-2-one;tris(oxygen(2-)) (CID 158998324) is dialuminum;non-3-en-2-one;tris(oxygen(2-)).
What is the SMILES notation for dialuminum;non-3-en-2-one;tris(oxygen(2-))?
The canonical SMILES for dialuminum;non-3-en-2-one;tris(oxygen(2-)) is CCCCCC=CC(C)=O.[Al+3].[Al+3].[O-2].[O-2].[O-2].
What is the InChIKey of dialuminum;non-3-en-2-one;tris(oxygen(2-))?
The InChIKey is IBUUKSADZAJQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O.2Al.3O/c1-3-4-5-6-7-8-9(2)10;;;;;/h7-8H,3-6H2,1-2H3;;;;;/q;2*+3;3*-2.
What are the key properties of dialuminum;non-3-en-2-one;tris(oxygen(2-))?
dialuminum;non-3-en-2-one;tris(oxygen(2-)) has a molecular weight of 242.19 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dialuminum;non-3-en-2-one;tris(oxygen(2-)) is sourced from PubChem (CID 158998324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).