Di-n-butylaluminum hydride

C8H18Al — CID 16684085

IUPAC—
SMILESCCCC[Al]CCCC
InChIInChI=1S/2C4H9.Al/c2*1-3-4-2;/h2*1,3-4H2,2H3;
InChIKeyVTZJFPSWNQFPCQ-UHFFFAOYSA-N
MW141.21 g/mol
LogP3.13
Rot. Bonds6

About Di-n-butylaluminum hydride

Di-n-butylaluminum hydride (PubChem CID 16684085) has the molecular formula C8H18Al and a molecular weight of 141.21 g/mol.

Molecular Properties

Compound NameDi-n-butylaluminum hydride
PubChem CID16684085
Molecular FormulaC8H18Al
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name—
SMILESCCCC[Al]CCCC
InChIInChI=1S/2C4H9.Al/c2*1-3-4-2;/h2*1,3-4H2,2H3;
InChIKeyVTZJFPSWNQFPCQ-UHFFFAOYSA-N
XLogP3.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 53.13
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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Frequently Asked Questions

What is the IUPAC name of Di-n-butylaluminum hydride?
The IUPAC name of Di-n-butylaluminum hydride (CID 16684085) is not available.
What is the SMILES notation for Di-n-butylaluminum hydride?
The canonical SMILES for Di-n-butylaluminum hydride is CCCC[Al]CCCC.
What is the InChIKey of Di-n-butylaluminum hydride?
The InChIKey is VTZJFPSWNQFPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9.Al/c2*1-3-4-2;/h2*1,3-4H2,2H3;.
What are the key properties of Di-n-butylaluminum hydride?
Di-n-butylaluminum hydride has a molecular weight of 141.21 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Di-n-butylaluminum hydride is sourced from PubChem (CID 16684085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).