aluminum;propan-1-ol;tris(propan-2-olate)

C12H29AlO4 — CID 175745399

IUPACaluminum;propan-1-ol;tris(propan-2-olate)
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].CCCO.[Al+3]
InChIInChI=1S/3C3H7O.C3H8O.Al/c3*1-3(2)4;1-2-3-4;/h3*3H,1-2H3;4H,2-3H2,1H3;/q3*-1;;+3
InChIKeyITWPLAZBRGRNHI-UHFFFAOYSA-N
MW264.34 g/mol
LogP-0.73
Rot. Bonds1

About aluminum;propan-1-ol;tris(propan-2-olate)

aluminum;propan-1-ol;tris(propan-2-olate) (PubChem CID 175745399) has the molecular formula C12H29AlO4 and a molecular weight of 264.34 g/mol. Its IUPAC name is aluminum;propan-1-ol;tris(propan-2-olate).

Molecular Properties

Compound Namealuminum;propan-1-ol;tris(propan-2-olate)
PubChem CID175745399
Molecular FormulaC12H29AlO4
Molecular Weight264.34 g/mol
Exact Mass264.19
IUPAC Namealuminum;propan-1-ol;tris(propan-2-olate)
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].CCCO.[Al+3]
InChIInChI=1S/3C3H7O.C3H8O.Al/c3*1-3(2)4;1-2-3-4;/h3*3H,1-2H3;4H,2-3H2,1H3;/q3*-1;;+3
InChIKeyITWPLAZBRGRNHI-UHFFFAOYSA-N
XLogP-0.73
TPSA89.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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methane;propan-1-ol;propan-2-ol
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niobium;hexakis(propan-1-ol)
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propan-1-ol;hydroiodide
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phosphane;tris(propan-1-ol)
CID 172777513
bis(propan-1-ol);yttrium
CID 20652670
propan-1-ol;sulfanide
CID 19710776
CID 6391766
CID 6391766
nickel;propan-1-ol
CID 22476953
methanol;propan-1-ol;zinc
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tris(propan-1-ol);zirconium;chloride
CID 18944786

Frequently Asked Questions

What is the IUPAC name of aluminum;propan-1-ol;tris(propan-2-olate)?
The IUPAC name of aluminum;propan-1-ol;tris(propan-2-olate) (CID 175745399) is aluminum;propan-1-ol;tris(propan-2-olate).
What is the SMILES notation for aluminum;propan-1-ol;tris(propan-2-olate)?
The canonical SMILES for aluminum;propan-1-ol;tris(propan-2-olate) is CC(C)[O-].CC(C)[O-].CC(C)[O-].CCCO.[Al+3].
What is the InChIKey of aluminum;propan-1-ol;tris(propan-2-olate)?
The InChIKey is ITWPLAZBRGRNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H7O.C3H8O.Al/c3*1-3(2)4;1-2-3-4;/h3*3H,1-2H3;4H,2-3H2,1H3;/q3*-1;;+3.
What are the key properties of aluminum;propan-1-ol;tris(propan-2-olate)?
aluminum;propan-1-ol;tris(propan-2-olate) has a molecular weight of 264.34 g/mol, XLogP of -0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;propan-1-ol;tris(propan-2-olate) is sourced from PubChem (CID 175745399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).