aluminum;2-methylpentan-3-one;triiodide

C6H12AlI3O — CID 163663533

IUPACaluminum;2-methylpentan-3-one;triiodide
SMILESCCC(=O)C(C)C.[Al+3].[I-].[I-].[I-]
InChIInChI=1S/C6H12O.Al.3HI/c1-4-6(7)5(2)3;;;;/h5H,4H2,1-3H3;;3*1H/q;+3;;;/p-3
InChIKeyIWKHMGZYBXGNFW-UHFFFAOYSA-K
MW507.86 g/mol
LogP-7.75
Rot. Bonds2

About aluminum;2-methylpentan-3-one;triiodide

aluminum;2-methylpentan-3-one;triiodide (PubChem CID 163663533) has the molecular formula C6H12AlI3O and a molecular weight of 507.86 g/mol. Its IUPAC name is aluminum;2-methylpentan-3-one;triiodide.

Molecular Properties

Compound Namealuminum;2-methylpentan-3-one;triiodide
PubChem CID163663533
Molecular FormulaC6H12AlI3O
Molecular Weight507.86 g/mol
Exact Mass507.78
IUPAC Namealuminum;2-methylpentan-3-one;triiodide
SMILESCCC(=O)C(C)C.[Al+3].[I-].[I-].[I-]
InChIInChI=1S/C6H12O.Al.3HI/c1-4-6(7)5(2)3;;;;/h5H,4H2,1-3H3;;3*1H/q;+3;;;/p-3
InChIKeyIWKHMGZYBXGNFW-UHFFFAOYSA-K
XLogP-7.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.86
LogP ≤ 5-7.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methylpentane;2-methylpentan-3-one
CID 160798944
1,1,1-trideuterio-2-methylpentan-3-one
CID 101215881
2-methylpentan-3-one;4-methylpentan-2-one
CID 87147995
ethane;methylcyclohexane;2-methylpentan-3-one
CID 177135941
2-aminopentan-3-one
CID 10986165
3-methylbutan-2-one;tris(2-methylheptan-3-one);2-methylhexan-3-one;2-methylpentan-3-one
CID 159112231
carbonic acid;2-hydroxypentan-3-one
CID 174710122
2-methyl-N-(3-oxopentan-2-yl)propanamide
CID 64991731
6-fluoro-5-(fluoromethyl)-2-methylhexan-3-one
CID 158464298
(4R)-4-amino-5-methylhexan-3-one
CID 88898778
2-methyl-3-oxopentanoyl fluoride
CID 174997525
(4R)-4-methylheptan-3-one
CID 12696684

Frequently Asked Questions

What is the IUPAC name of aluminum;2-methylpentan-3-one;triiodide?
The IUPAC name of aluminum;2-methylpentan-3-one;triiodide (CID 163663533) is aluminum;2-methylpentan-3-one;triiodide.
What is the SMILES notation for aluminum;2-methylpentan-3-one;triiodide?
The canonical SMILES for aluminum;2-methylpentan-3-one;triiodide is CCC(=O)C(C)C.[Al+3].[I-].[I-].[I-].
What is the InChIKey of aluminum;2-methylpentan-3-one;triiodide?
The InChIKey is IWKHMGZYBXGNFW-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H12O.Al.3HI/c1-4-6(7)5(2)3;;;;/h5H,4H2,1-3H3;;3*1H/q;+3;;;/p-3.
What are the key properties of aluminum;2-methylpentan-3-one;triiodide?
aluminum;2-methylpentan-3-one;triiodide has a molecular weight of 507.86 g/mol, XLogP of -7.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;2-methylpentan-3-one;triiodide is sourced from PubChem (CID 163663533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).