aluminum;1-chloro-4-trimethylsilylbut-3-yn-2-one;trichloride

C7H11AlCl4OSi — CID 158786314

IUPACaluminum;1-chloro-4-trimethylsilylbut-3-yn-2-one;trichloride
SMILESC[Si](C)(C)C#CC(=O)CCl.[Al+3].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C7H11ClOSi.Al.3ClH/c1-10(2,3)5-4-7(9)6-8;;;;/h6H2,1-3H3;;3*1H/q;+3;;;/p-3
InChIKeyIRSOUZSPKKZXHN-UHFFFAOYSA-K
MW308.04 g/mol
LogP-7.69
Rot. Bonds1

About aluminum;1-chloro-4-trimethylsilylbut-3-yn-2-one;trichloride

aluminum;1-chloro-4-trimethylsilylbut-3-yn-2-one;trichloride (PubChem CID 158786314) has the molecular formula C7H11AlCl4OSi and a molecular weight of 308.04 g/mol. Its IUPAC name is aluminum;1-chloro-4-trimethylsilylbut-3-yn-2-one;trichloride.

Molecular Properties

Compound Namealuminum;1-chloro-4-trimethylsilylbut-3-yn-2-one;trichloride
PubChem CID158786314
Molecular FormulaC7H11AlCl4OSi
Molecular Weight308.04 g/mol
Exact Mass305.91
IUPAC Namealuminum;1-chloro-4-trimethylsilylbut-3-yn-2-one;trichloride
SMILESC[Si](C)(C)C#CC(=O)CCl.[Al+3].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C7H11ClOSi.Al.3ClH/c1-10(2,3)5-4-7(9)6-8;;;;/h6H2,1-3H3;;3*1H/q;+3;;;/p-3
InChIKeyIRSOUZSPKKZXHN-UHFFFAOYSA-K
XLogP-7.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.04
LogP ≤ 5-7.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of aluminum;1-chloro-4-trimethylsilylbut-3-yn-2-one;trichloride?
The IUPAC name of aluminum;1-chloro-4-trimethylsilylbut-3-yn-2-one;trichloride (CID 158786314) is aluminum;1-chloro-4-trimethylsilylbut-3-yn-2-one;trichloride.
What is the SMILES notation for aluminum;1-chloro-4-trimethylsilylbut-3-yn-2-one;trichloride?
The canonical SMILES for aluminum;1-chloro-4-trimethylsilylbut-3-yn-2-one;trichloride is C[Si](C)(C)C#CC(=O)CCl.[Al+3].[Cl-].[Cl-].[Cl-].
What is the InChIKey of aluminum;1-chloro-4-trimethylsilylbut-3-yn-2-one;trichloride?
The InChIKey is IRSOUZSPKKZXHN-UHFFFAOYSA-K. The full InChI is InChI=1S/C7H11ClOSi.Al.3ClH/c1-10(2,3)5-4-7(9)6-8;;;;/h6H2,1-3H3;;3*1H/q;+3;;;/p-3.
What are the key properties of aluminum;1-chloro-4-trimethylsilylbut-3-yn-2-one;trichloride?
aluminum;1-chloro-4-trimethylsilylbut-3-yn-2-one;trichloride has a molecular weight of 308.04 g/mol, XLogP of -7.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;1-chloro-4-trimethylsilylbut-3-yn-2-one;trichloride is sourced from PubChem (CID 158786314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).