aluminum tris(pentan-2-olate)

C15H33AlO3 — CID 18793653

IUPACaluminum tris(pentan-2-olate)
SMILESCCCC(C)[O-].CCCC(C)[O-].CCCC(C)[O-].[Al+3]
InChIInChI=1S/3C5H11O.Al/c3*1-3-4-5(2)6;/h3*5H,3-4H2,1-2H3;/q3*-1;+3
InChIKeyZMDJMPIPLLNXJO-UHFFFAOYSA-N
MW288.41 g/mol
LogP1.23
Rot. Bonds6

About aluminum tris(pentan-2-olate)

aluminum tris(pentan-2-olate) (PubChem CID 18793653) has the molecular formula C15H33AlO3 and a molecular weight of 288.41 g/mol. Its IUPAC name is aluminum tris(pentan-2-olate).

Molecular Properties

Compound Namealuminum tris(pentan-2-olate)
PubChem CID18793653
Molecular FormulaC15H33AlO3
Molecular Weight288.41 g/mol
Exact Mass288.22
IUPAC Namealuminum tris(pentan-2-olate)
SMILESCCCC(C)[O-].CCCC(C)[O-].CCCC(C)[O-].[Al+3]
InChIInChI=1S/3C5H11O.Al/c3*1-3-4-5(2)6;/h3*5H,3-4H2,1-2H3;/q3*-1;+3
InChIKeyZMDJMPIPLLNXJO-UHFFFAOYSA-N
XLogP1.23
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Aluminum isopropoxide
CID 11143
Aluminum sec-butoxide
CID 61289
Pentan-2-ol, triester with boric acid
CID 56842931
Aluminum sec-butoxide, (-)-
CID 71587299
Aluminum sec-butoxide, (+)-
CID 71587331
Butoxy-di(propan-2-yloxy)alumane
CID 16703414
Dialuminum;tris(propan-2-olate)
CID 19357396
Butan-1-olate;di(butan-2-yloxy)alumanylium
CID 19596842
Bis(butan-1-olate);butan-2-yloxyaluminum(2+)
CID 19596847
Magnesium bis(pentan-2-olate)
CID 20137648
Aluminum;bis(butan-2-olate);propan-2-olate
CID 20254041
Dialuminum;tris(butan-1-olate);tris(propan-2-olate)
CID 21278259

Frequently Asked Questions

What is the IUPAC name of aluminum tris(pentan-2-olate)?
The IUPAC name of aluminum tris(pentan-2-olate) (CID 18793653) is aluminum tris(pentan-2-olate).
What is the SMILES notation for aluminum tris(pentan-2-olate)?
The canonical SMILES for aluminum tris(pentan-2-olate) is CCCC(C)[O-].CCCC(C)[O-].CCCC(C)[O-].[Al+3].
What is the InChIKey of aluminum tris(pentan-2-olate)?
The InChIKey is ZMDJMPIPLLNXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H11O.Al/c3*1-3-4-5(2)6;/h3*5H,3-4H2,1-2H3;/q3*-1;+3.
What are the key properties of aluminum tris(pentan-2-olate)?
aluminum tris(pentan-2-olate) has a molecular weight of 288.41 g/mol, XLogP of 1.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum tris(pentan-2-olate) is sourced from PubChem (CID 18793653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).