alumane;dihydrate;dihydrochloride

H9AlCl2O2 — CID 174817223

IUPACalumane;dihydrate;dihydrochloride
SMILESCl.Cl.O.O.[AlH3]
InChIInChI=1S/Al.2ClH.2H2O.3H/h;2*1H;2*1H2;;;
InChIKeyNAGACIRSDPZUSV-UHFFFAOYSA-N
MW138.96 g/mol
LogP-1.99
Rot. Bonds

About alumane;dihydrate;dihydrochloride

alumane;dihydrate;dihydrochloride (PubChem CID 174817223) has the molecular formula H9AlCl2O2 and a molecular weight of 138.96 g/mol. Its IUPAC name is alumane;dihydrate;dihydrochloride.

Molecular Properties

Compound Namealumane;dihydrate;dihydrochloride
PubChem CID174817223
Molecular FormulaH9AlCl2O2
Molecular Weight138.96 g/mol
Exact Mass137.98
IUPAC Namealumane;dihydrate;dihydrochloride
SMILESCl.Cl.O.O.[AlH3]
InChIInChI=1S/Al.2ClH.2H2O.3H/h;2*1H;2*1H2;;;
InChIKeyNAGACIRSDPZUSV-UHFFFAOYSA-N
XLogP-1.99
TPSA63.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.96
LogP ≤ 5-1.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of alumane;dihydrate;dihydrochloride?
The IUPAC name of alumane;dihydrate;dihydrochloride (CID 174817223) is alumane;dihydrate;dihydrochloride.
What is the SMILES notation for alumane;dihydrate;dihydrochloride?
The canonical SMILES for alumane;dihydrate;dihydrochloride is Cl.Cl.O.O.[AlH3].
What is the InChIKey of alumane;dihydrate;dihydrochloride?
The InChIKey is NAGACIRSDPZUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.2ClH.2H2O.3H/h;2*1H;2*1H2;;;.
What are the key properties of alumane;dihydrate;dihydrochloride?
alumane;dihydrate;dihydrochloride has a molecular weight of 138.96 g/mol, XLogP of -1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;dihydrate;dihydrochloride is sourced from PubChem (CID 174817223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).