Butoxyaluminium hydride

C4H9AlO — CID 87196395

IUPAC—
SMILESCCCCO[Al]
InChIInChI=1S/C4H9O.Al/c1-2-3-4-5;/h2-4H2,1H3;/q-1;+1
InChIKeyFGVNCNTVSHHPTI-UHFFFAOYSA-N
MW100.10 g/mol
LogP0.89
Rot. Bonds3

About Butoxyaluminium hydride

Butoxyaluminium hydride (PubChem CID 87196395) has the molecular formula C4H9AlO and a molecular weight of 100.10 g/mol.

Molecular Properties

Compound NameButoxyaluminium hydride
PubChem CID87196395
Molecular FormulaC4H9AlO
Molecular Weight100.10 g/mol
Exact Mass100.05
IUPAC Name—
SMILESCCCCO[Al]
InChIInChI=1S/C4H9O.Al/c1-2-3-4-5;/h2-4H2,1H3;/q-1;+1
InChIKeyFGVNCNTVSHHPTI-UHFFFAOYSA-N
XLogP0.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.10
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze Butoxyaluminium hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Aluminum tributoxide, 95%
CID 16684880
Ethylaluminoxane
CID 23260925
n-Butoxy radical
CID 140467
Butan-1-olate
CID 12476378
Aluminium chloride butan-1-olate (1/2/1)
CID 16692734
Butoxy(dimethyl)alumane
CID 16697704
Diethylaluminum butoxide
CID 16710546
Methylalumoxane
CID 23511181
1-Fluorobutoxyalumane
CID 173604748
CID 16703709
CID 16703709
Butoxyaluminum(2+);hydride
CID 18676810
Dipropoxyalumanylium
CID 19596837

Frequently Asked Questions

What is the IUPAC name of Butoxyaluminium hydride?
The IUPAC name of Butoxyaluminium hydride (CID 87196395) is not available.
What is the SMILES notation for Butoxyaluminium hydride?
The canonical SMILES for Butoxyaluminium hydride is CCCCO[Al].
What is the InChIKey of Butoxyaluminium hydride?
The InChIKey is FGVNCNTVSHHPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.Al/c1-2-3-4-5;/h2-4H2,1H3;/q-1;+1.
What are the key properties of Butoxyaluminium hydride?
Butoxyaluminium hydride has a molecular weight of 100.10 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Butoxyaluminium hydride is sourced from PubChem (CID 87196395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).