alumane;hydroxy hypochlorite

H4AlClO2 — CID 173409143

IUPACalumane;hydroxy hypochlorite
SMILESOOCl.[AlH3]
InChIInChI=1S/Al.ClHO2.3H/c;1-3-2;;;/h;2H;;;
InChIKeyAVMKDMKPVCKSNQ-UHFFFAOYSA-N
MW98.46 g/mol
LogP-0.55
Rot. Bonds

About alumane;hydroxy hypochlorite

alumane;hydroxy hypochlorite (PubChem CID 173409143) has the molecular formula H4AlClO2 and a molecular weight of 98.46 g/mol. Its IUPAC name is alumane;hydroxy hypochlorite.

Molecular Properties

Compound Namealumane;hydroxy hypochlorite
PubChem CID173409143
Molecular FormulaH4AlClO2
Molecular Weight98.46 g/mol
Exact Mass97.97
IUPAC Namealumane;hydroxy hypochlorite
SMILESOOCl.[AlH3]
InChIInChI=1S/Al.ClHO2.3H/c;1-3-2;;;/h;2H;;;
InChIKeyAVMKDMKPVCKSNQ-UHFFFAOYSA-N
XLogP-0.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.46
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of alumane;hydroxy hypochlorite?
The IUPAC name of alumane;hydroxy hypochlorite (CID 173409143) is alumane;hydroxy hypochlorite.
What is the SMILES notation for alumane;hydroxy hypochlorite?
The canonical SMILES for alumane;hydroxy hypochlorite is OOCl.[AlH3].
What is the InChIKey of alumane;hydroxy hypochlorite?
The InChIKey is AVMKDMKPVCKSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.ClHO2.3H/c;1-3-2;;;/h;2H;;;.
What are the key properties of alumane;hydroxy hypochlorite?
alumane;hydroxy hypochlorite has a molecular weight of 98.46 g/mol, XLogP of -0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;hydroxy hypochlorite is sourced from PubChem (CID 173409143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).