1-bromoethylalumane

C2H6AlBr — CID 175287142

IUPAC1-bromoethylalumane
SMILESCC([AlH2])Br
InChIInChI=1S/C2H4Br.Al.2H/c1-2-3;;;/h2H,1H3;;;
InChIKeyQBYOXNHVFNZFEV-UHFFFAOYSA-N
MW136.96 g/mol
LogP0.36
Rot. Bonds

About 1-bromoethylalumane

1-bromoethylalumane (PubChem CID 175287142) has the molecular formula C2H6AlBr and a molecular weight of 136.96 g/mol. Its IUPAC name is 1-bromoethylalumane.

Molecular Properties

Compound Name1-bromoethylalumane
PubChem CID175287142
Molecular FormulaC2H6AlBr
Molecular Weight136.96 g/mol
Exact Mass135.95
IUPAC Name1-bromoethylalumane
SMILESCC([AlH2])Br
InChIInChI=1S/C2H4Br.Al.2H/c1-2-3;;;/h2H,1H3;;;
InChIKeyQBYOXNHVFNZFEV-UHFFFAOYSA-N
XLogP0.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.96
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromoethylalumane?
The IUPAC name of 1-bromoethylalumane (CID 175287142) is 1-bromoethylalumane.
What is the SMILES notation for 1-bromoethylalumane?
The canonical SMILES for 1-bromoethylalumane is CC([AlH2])Br.
What is the InChIKey of 1-bromoethylalumane?
The InChIKey is QBYOXNHVFNZFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4Br.Al.2H/c1-2-3;;;/h2H,1H3;;;.
What are the key properties of 1-bromoethylalumane?
1-bromoethylalumane has a molecular weight of 136.96 g/mol, XLogP of 0.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromoethylalumane is sourced from PubChem (CID 175287142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).