aluminum;hexane;tris(propan-2-olate)

C15H35AlO3 — CID 173368889

IUPACaluminum;hexane;tris(propan-2-olate)
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].CCCCCC.[Al+3]
InChIInChI=1S/C6H14.3C3H7O.Al/c1-3-5-6-4-2;3*1-3(2)4;/h3-6H2,1-2H3;3*3H,1-2H3;/q;3*-1;+3
InChIKeyQJFGLDBLFRWBMF-UHFFFAOYSA-N
MW290.42 g/mol
LogP1.47
Rot. Bonds3

About aluminum;hexane;tris(propan-2-olate)

aluminum;hexane;tris(propan-2-olate) (PubChem CID 173368889) has the molecular formula C15H35AlO3 and a molecular weight of 290.42 g/mol. Its IUPAC name is aluminum;hexane;tris(propan-2-olate).

Molecular Properties

Compound Namealuminum;hexane;tris(propan-2-olate)
PubChem CID173368889
Molecular FormulaC15H35AlO3
Molecular Weight290.42 g/mol
Exact Mass290.24
IUPAC Namealuminum;hexane;tris(propan-2-olate)
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].CCCCCC.[Al+3]
InChIInChI=1S/C6H14.3C3H7O.Al/c1-3-5-6-4-2;3*1-3(2)4;/h3-6H2,1-2H3;3*3H,1-2H3;/q;3*-1;+3
InChIKeyQJFGLDBLFRWBMF-UHFFFAOYSA-N
XLogP1.47
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.42
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

aluminum;hexan-1-olate;bis(propan-2-olate)
CID 102269267
bis(butan-1-olate);bis(propan-2-olate);titanium(4+)
CID 90474924
tetrakis(butan-1-olate);tetrakis(propan-2-olate);bis(zirconium(4+))
CID 159358567
ethane;hexane;2-methylpropane
CID 143834457
1-dodecoxydodecane;lanthanum(3+);tris(propan-2-olate)
CID 174830445
aluminum;propan-1-ol;tris(propan-2-olate)
CID 175745399
potassium heptan-2-olate
CID 165147938
ethane;heptane;2-methylpropane
CID 167499531
sodium nonan-2-olate
CID 23695654
acetylene;heptane;hexane
CID 173326274
CID 173021152
CID 173021152
CID 101028316
CID 101028316

Frequently Asked Questions

What is the IUPAC name of aluminum;hexane;tris(propan-2-olate)?
The IUPAC name of aluminum;hexane;tris(propan-2-olate) (CID 173368889) is aluminum;hexane;tris(propan-2-olate).
What is the SMILES notation for aluminum;hexane;tris(propan-2-olate)?
The canonical SMILES for aluminum;hexane;tris(propan-2-olate) is CC(C)[O-].CC(C)[O-].CC(C)[O-].CCCCCC.[Al+3].
What is the InChIKey of aluminum;hexane;tris(propan-2-olate)?
The InChIKey is QJFGLDBLFRWBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.3C3H7O.Al/c1-3-5-6-4-2;3*1-3(2)4;/h3-6H2,1-2H3;3*3H,1-2H3;/q;3*-1;+3.
What are the key properties of aluminum;hexane;tris(propan-2-olate)?
aluminum;hexane;tris(propan-2-olate) has a molecular weight of 290.42 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;hexane;tris(propan-2-olate) is sourced from PubChem (CID 173368889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).