dipropylalumanylium chloride

C6H14AlCl — CID 16683948

IUPACdipropylalumanylium chloride
SMILESCCC[Al+]CCC.[Cl-]
InChIInChI=1S/2C3H7.Al.ClH/c2*1-3-2;;/h2*1,3H2,2H3;;1H/q;;+1;/p-1
InChIKeyZMXPNWBFRPIZFV-UHFFFAOYSA-M
MW148.61 g/mol
LogP-0.65
Rot. Bonds4

About dipropylalumanylium chloride

dipropylalumanylium chloride (PubChem CID 16683948) has the molecular formula C6H14AlCl and a molecular weight of 148.61 g/mol. Its IUPAC name is dipropylalumanylium chloride.

Molecular Properties

Compound Namedipropylalumanylium chloride
PubChem CID16683948
Molecular FormulaC6H14AlCl
Molecular Weight148.61 g/mol
Exact Mass148.06
IUPAC Namedipropylalumanylium chloride
SMILESCCC[Al+]CCC.[Cl-]
InChIInChI=1S/2C3H7.Al.ClH/c2*1-3-2;;/h2*1,3H2,2H3;;1H/q;;+1;/p-1
InChIKeyZMXPNWBFRPIZFV-UHFFFAOYSA-M
XLogP-0.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.61
LogP ≤ 5-0.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

dipropylalumanylium;hexane;hydride
CID 175456886
chloromethyl(propyl)alumanylium
CID 175105560
bis(2-methylpropyl)alumanylium;dipropylalumanylium;ethanolate
CID 159316887
dibutylalumanylium;trimethyl(oxido)silane
CID 87730250
butyl(chloromethyl)alumanylium chloride
CID 175564527
bis(3-methylhexyl)alumanylium
CID 90200144
diethylalumanylium;titanium(4+);tetrachloride;fluoride
CID 159607865
butane;tin(2+);dichloride;hydrate
CID 171375385
CID 174748890
CID 174748890
butane;ethene;methane;tris(yttrium)
CID 158409279
hexane;titanium(3+);trichloride
CID 163599635
undecane chloride
CID 19736895

Frequently Asked Questions

What is the IUPAC name of dipropylalumanylium chloride?
The IUPAC name of dipropylalumanylium chloride (CID 16683948) is dipropylalumanylium chloride.
What is the SMILES notation for dipropylalumanylium chloride?
The canonical SMILES for dipropylalumanylium chloride is CCC[Al+]CCC.[Cl-].
What is the InChIKey of dipropylalumanylium chloride?
The InChIKey is ZMXPNWBFRPIZFV-UHFFFAOYSA-M. The full InChI is InChI=1S/2C3H7.Al.ClH/c2*1-3-2;;/h2*1,3H2,2H3;;1H/q;;+1;/p-1.
What are the key properties of dipropylalumanylium chloride?
dipropylalumanylium chloride has a molecular weight of 148.61 g/mol, XLogP of -0.65, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dipropylalumanylium chloride is sourced from PubChem (CID 16683948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).