4-bromobutylalumane

C4H10AlBr — CID 175055594

IUPAC4-bromobutylalumane
SMILES[AlH2]CCCCBr
InChIInChI=1S/C4H8Br.Al.2H/c1-2-3-4-5;;;/h1-4H2;;;
InChIKeyVSPIQGHNDQSGLV-UHFFFAOYSA-N
MW165.01 g/mol
LogP1.21
Rot. Bonds3

About 4-bromobutylalumane

4-bromobutylalumane (PubChem CID 175055594) has the molecular formula C4H10AlBr and a molecular weight of 165.01 g/mol. Its IUPAC name is 4-bromobutylalumane.

Molecular Properties

Compound Name4-bromobutylalumane
PubChem CID175055594
Molecular FormulaC4H10AlBr
Molecular Weight165.01 g/mol
Exact Mass163.98
IUPAC Name4-bromobutylalumane
SMILES[AlH2]CCCCBr
InChIInChI=1S/C4H8Br.Al.2H/c1-2-3-4-5;;;/h1-4H2;;;
InChIKeyVSPIQGHNDQSGLV-UHFFFAOYSA-N
XLogP1.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.01
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromobutylalumane?
The IUPAC name of 4-bromobutylalumane (CID 175055594) is 4-bromobutylalumane.
What is the SMILES notation for 4-bromobutylalumane?
The canonical SMILES for 4-bromobutylalumane is [AlH2]CCCCBr.
What is the InChIKey of 4-bromobutylalumane?
The InChIKey is VSPIQGHNDQSGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Br.Al.2H/c1-2-3-4-5;;;/h1-4H2;;;.
What are the key properties of 4-bromobutylalumane?
4-bromobutylalumane has a molecular weight of 165.01 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromobutylalumane is sourced from PubChem (CID 175055594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).