chloromethylalumane

CH4AlCl — CID 150280389

IUPACchloromethylalumane
SMILES[AlH2]CCl
InChIInChI=1S/CH2Cl.Al.2H/c1-2;;;/h1H2;;;
InChIKeyDTESHWUKPNSZIE-UHFFFAOYSA-N
MW78.48 g/mol
LogP-0.18
Rot. Bonds

About chloromethylalumane

chloromethylalumane (PubChem CID 150280389) has the molecular formula CH4AlCl and a molecular weight of 78.48 g/mol. Its IUPAC name is chloromethylalumane.

Molecular Properties

Compound Namechloromethylalumane
PubChem CID150280389
Molecular FormulaCH4AlCl
Molecular Weight78.48 g/mol
Exact Mass77.98
IUPAC Namechloromethylalumane
SMILES[AlH2]CCl
InChIInChI=1S/CH2Cl.Al.2H/c1-2;;;/h1H2;;;
InChIKeyDTESHWUKPNSZIE-UHFFFAOYSA-N
XLogP-0.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.48
LogP ≤ 5-0.18
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 chloromethylalumane?
The IUPAC name of chloromethylalumane (CID 150280389) is chloromethylalumane.
What is the SMILES notation for chloromethylalumane?
The canonical SMILES for chloromethylalumane is [AlH2]CCl.
What is the InChIKey of chloromethylalumane?
The InChIKey is DTESHWUKPNSZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2Cl.Al.2H/c1-2;;;/h1H2;;;.
What are the key properties of chloromethylalumane?
chloromethylalumane has a molecular weight of 78.48 g/mol, XLogP of -0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethylalumane is sourced from PubChem (CID 150280389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).