bis(butan-1-olate);ethylaluminum(2+)

C10H23AlO2 — CID 18349415

IUPACbis(butan-1-olate);ethylaluminum(2+)
SMILESCCCC[O-].CCCC[O-].CC[Al+2]
InChIInChI=1S/2C4H9O.C2H5.Al/c2*1-2-3-4-5;1-2;/h2*2-4H2,1H3;1H2,2H3;/q2*-1;;+2
InChIKeyDADXBEVESOLLPP-UHFFFAOYSA-N
MW202.27 g/mol
LogP0.89
Rot. Bonds4

About bis(butan-1-olate);ethylaluminum(2+)

bis(butan-1-olate);ethylaluminum(2+) (PubChem CID 18349415) has the molecular formula C10H23AlO2 and a molecular weight of 202.27 g/mol. Its IUPAC name is bis(butan-1-olate);ethylaluminum(2+).

Molecular Properties

Compound Namebis(butan-1-olate);ethylaluminum(2+)
PubChem CID18349415
Molecular FormulaC10H23AlO2
Molecular Weight202.27 g/mol
Exact Mass202.15
IUPAC Namebis(butan-1-olate);ethylaluminum(2+)
SMILESCCCC[O-].CCCC[O-].CC[Al+2]
InChIInChI=1S/2C4H9O.C2H5.Al/c2*1-2-3-4-5;1-2;/h2*2-4H2,1H3;1H2,2H3;/q2*-1;;+2
InChIKeyDADXBEVESOLLPP-UHFFFAOYSA-N
XLogP0.89
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze bis(butan-1-olate);ethylaluminum(2+) with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(butan-1-olate);ethylaluminum(2+)?
The IUPAC name of bis(butan-1-olate);ethylaluminum(2+) (CID 18349415) is bis(butan-1-olate);ethylaluminum(2+).
What is the SMILES notation for bis(butan-1-olate);ethylaluminum(2+)?
The canonical SMILES for bis(butan-1-olate);ethylaluminum(2+) is CCCC[O-].CCCC[O-].CC[Al+2].
What is the InChIKey of bis(butan-1-olate);ethylaluminum(2+)?
The InChIKey is DADXBEVESOLLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9O.C2H5.Al/c2*1-2-3-4-5;1-2;/h2*2-4H2,1H3;1H2,2H3;/q2*-1;;+2.
What are the key properties of bis(butan-1-olate);ethylaluminum(2+)?
bis(butan-1-olate);ethylaluminum(2+) has a molecular weight of 202.27 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(butan-1-olate);ethylaluminum(2+) is sourced from PubChem (CID 18349415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).