aluminum;carbanide;dichloride

CH3AlCl2 — CID 10154027

IUPACaluminum;carbanide;dichloride
SMILES[Al+3].[CH3-].[Cl-].[Cl-]
InChIInChI=1S/CH3.Al.2ClH/h1H3;;2*1H/q-1;+3;;/p-2
InChIKeyIYIMDBFPUIXMJD-UHFFFAOYSA-L
MW112.92 g/mol
LogP-5.92
Rot. Bonds

About aluminum;carbanide;dichloride

aluminum;carbanide;dichloride (PubChem CID 10154027) has the molecular formula CH3AlCl2 and a molecular weight of 112.92 g/mol. Its IUPAC name is aluminum;carbanide;dichloride.

Molecular Properties

Compound Namealuminum;carbanide;dichloride
PubChem CID10154027
Molecular FormulaCH3AlCl2
Molecular Weight112.92 g/mol
Exact Mass111.94
IUPAC Namealuminum;carbanide;dichloride
SMILES[Al+3].[CH3-].[Cl-].[Cl-]
InChIInChI=1S/CH3.Al.2ClH/h1H3;;2*1H/q-1;+3;;/p-2
InChIKeyIYIMDBFPUIXMJD-UHFFFAOYSA-L
XLogP-5.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.92
LogP ≤ 5-5.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of aluminum;carbanide;dichloride?
The IUPAC name of aluminum;carbanide;dichloride (CID 10154027) is aluminum;carbanide;dichloride.
What is the SMILES notation for aluminum;carbanide;dichloride?
The canonical SMILES for aluminum;carbanide;dichloride is [Al+3].[CH3-].[Cl-].[Cl-].
What is the InChIKey of aluminum;carbanide;dichloride?
The InChIKey is IYIMDBFPUIXMJD-UHFFFAOYSA-L. The full InChI is InChI=1S/CH3.Al.2ClH/h1H3;;2*1H/q-1;+3;;/p-2.
What are the key properties of aluminum;carbanide;dichloride?
aluminum;carbanide;dichloride has a molecular weight of 112.92 g/mol, XLogP of -5.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;carbanide;dichloride is sourced from PubChem (CID 10154027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).