alumane;benzene;dihydrochloride

C6H11AlCl2 — CID 173391809

IUPACalumane;benzene;dihydrochloride
SMILESCl.Cl.[AlH3].c1ccccc1
InChIInChI=1S/C6H6.Al.2ClH.3H/c1-2-4-6-5-3-1;;;;;;/h1-6H;;2*1H;;;
InChIKeyFKMLIQWZRDQAFC-UHFFFAOYSA-N
MW181.04 g/mol
LogP1.35
Rot. Bonds

About alumane;benzene;dihydrochloride

alumane;benzene;dihydrochloride (PubChem CID 173391809) has the molecular formula C6H11AlCl2 and a molecular weight of 181.04 g/mol. Its IUPAC name is alumane;benzene;dihydrochloride.

Molecular Properties

Compound Namealumane;benzene;dihydrochloride
PubChem CID173391809
Molecular FormulaC6H11AlCl2
Molecular Weight181.04 g/mol
Exact Mass180.01
IUPAC Namealumane;benzene;dihydrochloride
SMILESCl.Cl.[AlH3].c1ccccc1
InChIInChI=1S/C6H6.Al.2ClH.3H/c1-2-4-6-5-3-1;;;;;;/h1-6H;;2*1H;;;
InChIKeyFKMLIQWZRDQAFC-UHFFFAOYSA-N
XLogP1.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.04
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of alumane;benzene;dihydrochloride?
The IUPAC name of alumane;benzene;dihydrochloride (CID 173391809) is alumane;benzene;dihydrochloride.
What is the SMILES notation for alumane;benzene;dihydrochloride?
The canonical SMILES for alumane;benzene;dihydrochloride is Cl.Cl.[AlH3].c1ccccc1.
What is the InChIKey of alumane;benzene;dihydrochloride?
The InChIKey is FKMLIQWZRDQAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.Al.2ClH.3H/c1-2-4-6-5-3-1;;;;;;/h1-6H;;2*1H;;;.
What are the key properties of alumane;benzene;dihydrochloride?
alumane;benzene;dihydrochloride has a molecular weight of 181.04 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;benzene;dihydrochloride is sourced from PubChem (CID 173391809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).