chloromethylalumane;hydrochloride

CH5AlCl2 — CID 175026665

IUPACchloromethylalumane;hydrochloride
SMILESCl.[AlH2]CCl
InChIInChI=1S/CH2Cl.Al.ClH.2H/c1-2;;;;/h1H2;;1H;;
InChIKeyHJYZEJYLERYWRM-UHFFFAOYSA-N
MW114.94 g/mol
LogP0.24
Rot. Bonds

About chloromethylalumane;hydrochloride

chloromethylalumane;hydrochloride (PubChem CID 175026665) has the molecular formula CH5AlCl2 and a molecular weight of 114.94 g/mol. Its IUPAC name is chloromethylalumane;hydrochloride.

Molecular Properties

Compound Namechloromethylalumane;hydrochloride
PubChem CID175026665
Molecular FormulaCH5AlCl2
Molecular Weight114.94 g/mol
Exact Mass113.96
IUPAC Namechloromethylalumane;hydrochloride
SMILESCl.[AlH2]CCl
InChIInChI=1S/CH2Cl.Al.ClH.2H/c1-2;;;;/h1H2;;1H;;
InChIKeyHJYZEJYLERYWRM-UHFFFAOYSA-N
XLogP0.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.94
LogP ≤ 50.24
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;hydrochloride?
The IUPAC name of chloromethylalumane;hydrochloride (CID 175026665) is chloromethylalumane;hydrochloride.
What is the SMILES notation for chloromethylalumane;hydrochloride?
The canonical SMILES for chloromethylalumane;hydrochloride is Cl.[AlH2]CCl.
What is the InChIKey of chloromethylalumane;hydrochloride?
The InChIKey is HJYZEJYLERYWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2Cl.Al.ClH.2H/c1-2;;;;/h1H2;;1H;;.
What are the key properties of chloromethylalumane;hydrochloride?
chloromethylalumane;hydrochloride has a molecular weight of 114.94 g/mol, XLogP of 0.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethylalumane;hydrochloride is sourced from PubChem (CID 175026665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).