aluminum tris(butan-1-olate)

C12H27AlO3 — CID 6451513

IUPACaluminum tris(butan-1-olate)
SMILESCCCC[O-].CCCC[O-].CCCC[O-].[Al+3]
InChIInChI=1S/3C4H9O.Al/c3*1-2-3-4-5;/h3*2-4H2,1H3;/q3*-1;+3
InChIKeyMYWQGROTKMBNKN-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.06
Rot. Bonds6

About aluminum tris(butan-1-olate)

aluminum tris(butan-1-olate) (PubChem CID 6451513) has the molecular formula C12H27AlO3 and a molecular weight of 246.33 g/mol. Its IUPAC name is aluminum tris(butan-1-olate).

Molecular Properties

Compound Namealuminum tris(butan-1-olate)
PubChem CID6451513
Molecular FormulaC12H27AlO3
Molecular Weight246.33 g/mol
Exact Mass246.18
IUPAC Namealuminum tris(butan-1-olate)
SMILESCCCC[O-].CCCC[O-].CCCC[O-].[Al+3]
InChIInChI=1S/3C4H9O.Al/c3*1-2-3-4-5;/h3*2-4H2,1H3;/q3*-1;+3
InChIKeyMYWQGROTKMBNKN-UHFFFAOYSA-N
XLogP0.06
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Aluminum isopropoxide
CID 11143
Aluminum sec-butoxide
CID 61289
Tributyl borate
CID 12712
Dibutyl peroxide
CID 77458
Butyl sulfite
CID 69384
1-(Butoxydisulfanyl)oxybutane
CID 14251686
1-Butanol, antimony(3+) salt (3:1)
CID 102217
Aluminum tributoxide, 95%
CID 16684880
Lead dibutanolate
CID 6455035
Antimony(III) propoxide
CID 16685265
1-Propanol, 2-methyl-, aluminum salt (3:1)
CID 165121
1-Butanol, magnesium salt (2:1)
CID 167494

Frequently Asked Questions

What is the IUPAC name of aluminum tris(butan-1-olate)?
The IUPAC name of aluminum tris(butan-1-olate) (CID 6451513) is aluminum tris(butan-1-olate).
What is the SMILES notation for aluminum tris(butan-1-olate)?
The canonical SMILES for aluminum tris(butan-1-olate) is CCCC[O-].CCCC[O-].CCCC[O-].[Al+3].
What is the InChIKey of aluminum tris(butan-1-olate)?
The InChIKey is MYWQGROTKMBNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9O.Al/c3*1-2-3-4-5;/h3*2-4H2,1H3;/q3*-1;+3.
What are the key properties of aluminum tris(butan-1-olate)?
aluminum tris(butan-1-olate) has a molecular weight of 246.33 g/mol, XLogP of 0.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum tris(butan-1-olate) is sourced from PubChem (CID 6451513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).