aluminum chloroethane

C2H5AlCl+3 — CID 22498058

IUPACaluminum chloroethane
SMILESCCCl.[Al+3]
InChIInChI=1S/C2H5Cl.Al/c1-2-3;/h2H2,1H3;/q;+3
InChIKeyBQNAUYDAMHBOKE-UHFFFAOYSA-N
MW91.50 g/mol
LogP0.86
Rot. Bonds

About aluminum chloroethane

aluminum chloroethane (PubChem CID 22498058) has the molecular formula C2H5AlCl+3 and a molecular weight of 91.50 g/mol. Its IUPAC name is aluminum chloroethane.

Molecular Properties

Compound Namealuminum chloroethane
PubChem CID22498058
Molecular FormulaC2H5AlCl+3
Molecular Weight91.50 g/mol
Exact Mass90.99
IUPAC Namealuminum chloroethane
SMILESCCCl.[Al+3]
InChIInChI=1S/C2H5Cl.Al/c1-2-3;/h2H2,1H3;/q;+3
InChIKeyBQNAUYDAMHBOKE-UHFFFAOYSA-N
XLogP0.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.50
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of aluminum chloroethane?
The IUPAC name of aluminum chloroethane (CID 22498058) is aluminum chloroethane.
What is the SMILES notation for aluminum chloroethane?
The canonical SMILES for aluminum chloroethane is CCCl.[Al+3].
What is the InChIKey of aluminum chloroethane?
The InChIKey is BQNAUYDAMHBOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5Cl.Al/c1-2-3;/h2H2,1H3;/q;+3.
What are the key properties of aluminum chloroethane?
aluminum chloroethane has a molecular weight of 91.50 g/mol, XLogP of 0.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum chloroethane is sourced from PubChem (CID 22498058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).