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

C16H37Al2O3+ — CID 158233677

IUPACtris(butan-1-olate);bis(ethylaluminum(2+))
SMILESCCCC[O-].CCCC[O-].CCCC[O-].CC[Al+2].CC[Al+2]
InChIInChI=1S/3C4H9O.2C2H5.2Al/c3*1-2-3-4-5;2*1-2;;/h3*2-4H2,1H3;2*1H2,2H3;;/q3*-1;;;2*+2
InChIKeyZNAQXUNERITHMP-UHFFFAOYSA-N
MW331.43 g/mol
LogP1.63
Rot. Bonds6

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

tris(butan-1-olate);bis(ethylaluminum(2+)) (PubChem CID 158233677) has the molecular formula C16H37Al2O3+ and a molecular weight of 331.43 g/mol. Its IUPAC name is tris(butan-1-olate);bis(ethylaluminum(2+)).

Molecular Properties

Compound Nametris(butan-1-olate);bis(ethylaluminum(2+))
PubChem CID158233677
Molecular FormulaC16H37Al2O3+
Molecular Weight331.43 g/mol
Exact Mass331.24
IUPAC Nametris(butan-1-olate);bis(ethylaluminum(2+))
SMILESCCCC[O-].CCCC[O-].CCCC[O-].CC[Al+2].CC[Al+2]
InChIInChI=1S/3C4H9O.2C2H5.2Al/c3*1-2-3-4-5;2*1-2;;/h3*2-4H2,1H3;2*1H2,2H3;;/q3*-1;;;2*+2
InChIKeyZNAQXUNERITHMP-UHFFFAOYSA-N
XLogP1.63
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.43
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tris(butan-1-olate);bis(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

Related Compounds

tris(butan-1-olate);niobium(3+)
CID 161059025
CID 22242269
CID 22242269
tetrakis(butan-1-olate);vanadium(4+)
CID 14438320
tetrakis(butan-1-olate);hafnium(4+)
CID 10140113
tetrakis(butan-1-olate);germanium(4+)
CID 91868535
trilithium;tris(butan-1-olate)
CID 155673085
tris(butan-1-olate);yttrium(3+)
CID 11536856
butan-1-olate;rubidium(1+)
CID 23701266
dialuminum;tris(butan-1-olate);bis(butylaluminum(2+))
CID 159106975
butan-1-olate;bis(tetramethylazanium);hydroxide
CID 141199293
decakis(butan-1-olate);tris(oxygen(2-));tetrakis(titanium(4+))
CID 53384475
strontium;hexakis(butan-1-olate);titanium(4+)
CID 161415283

Frequently Asked Questions

What is the IUPAC name of tris(butan-1-olate);bis(ethylaluminum(2+))?
The IUPAC name of tris(butan-1-olate);bis(ethylaluminum(2+)) (CID 158233677) is tris(butan-1-olate);bis(ethylaluminum(2+)).
What is the SMILES notation for tris(butan-1-olate);bis(ethylaluminum(2+))?
The canonical SMILES for tris(butan-1-olate);bis(ethylaluminum(2+)) is CCCC[O-].CCCC[O-].CCCC[O-].CC[Al+2].CC[Al+2].
What is the InChIKey of tris(butan-1-olate);bis(ethylaluminum(2+))?
The InChIKey is ZNAQXUNERITHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9O.2C2H5.2Al/c3*1-2-3-4-5;2*1-2;;/h3*2-4H2,1H3;2*1H2,2H3;;/q3*-1;;;2*+2.
What are the key properties of tris(butan-1-olate);bis(ethylaluminum(2+))?
tris(butan-1-olate);bis(ethylaluminum(2+)) has a molecular weight of 331.43 g/mol, XLogP of 1.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(butan-1-olate);bis(ethylaluminum(2+)) is sourced from PubChem (CID 158233677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).