aluminum;hexan-1-olate;bis(propan-2-olate)

C12H27AlO3 — CID 102269267

IUPACaluminum;hexan-1-olate;bis(propan-2-olate)
SMILESCC(C)[O-].CC(C)[O-].CCCCCC[O-].[Al+3]
InChIInChI=1S/C6H13O.2C3H7O.Al/c1-2-3-4-5-6-7;2*1-3(2)4;/h2-6H2,1H3;2*3H,1-2H3;/q3*-1;+3
InChIKeyFQLKBMPFRJEDSY-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.06
Rot. Bonds4

About aluminum;hexan-1-olate;bis(propan-2-olate)

aluminum;hexan-1-olate;bis(propan-2-olate) (PubChem CID 102269267) has the molecular formula C12H27AlO3 and a molecular weight of 246.33 g/mol. Its IUPAC name is aluminum;hexan-1-olate;bis(propan-2-olate).

Molecular Properties

Compound Namealuminum;hexan-1-olate;bis(propan-2-olate)
PubChem CID102269267
Molecular FormulaC12H27AlO3
Molecular Weight246.33 g/mol
Exact Mass246.18
IUPAC Namealuminum;hexan-1-olate;bis(propan-2-olate)
SMILESCC(C)[O-].CC(C)[O-].CCCCCC[O-].[Al+3]
InChIInChI=1S/C6H13O.2C3H7O.Al/c1-2-3-4-5-6-7;2*1-3(2)4;/h2-6H2,1H3;2*3H,1-2H3;/q3*-1;+3
InChIKeyFQLKBMPFRJEDSY-UHFFFAOYSA-N
XLogP0.06
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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

Computed Properties (RDKit)

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

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Related Compounds

aluminum;hexane;tris(propan-2-olate)
CID 173368889
bis(butan-1-olate);bis(propan-2-olate);titanium(4+)
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tetrakis(butan-1-olate);tetrakis(propan-2-olate);bis(zirconium(4+))
CID 159358567
barium(2+);bis(octadecan-1-olate)
CID 23324389
magnesium decan-1-olate
CID 3015949
sodium octadecan-1-olate
CID 23689332
calcium bis(decan-1-olate)
CID 141290490
calcium bis(octan-1-olate)
CID 87749670
magnesium;butan-1-olate;octan-1-olate
CID 24942472
magnesium;ethane;hexan-1-olate
CID 140967306
dodecan-1-olate;2-methylprop-2-enoate;propan-2-olate;tetradecan-1-olate;titanium(4+)
CID 170845189
decan-1-olate;bis(trimethylazanium);chloride
CID 141321168

Frequently Asked Questions

What is the IUPAC name of aluminum;hexan-1-olate;bis(propan-2-olate)?
The IUPAC name of aluminum;hexan-1-olate;bis(propan-2-olate) (CID 102269267) is aluminum;hexan-1-olate;bis(propan-2-olate).
What is the SMILES notation for aluminum;hexan-1-olate;bis(propan-2-olate)?
The canonical SMILES for aluminum;hexan-1-olate;bis(propan-2-olate) is CC(C)[O-].CC(C)[O-].CCCCCC[O-].[Al+3].
What is the InChIKey of aluminum;hexan-1-olate;bis(propan-2-olate)?
The InChIKey is FQLKBMPFRJEDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O.2C3H7O.Al/c1-2-3-4-5-6-7;2*1-3(2)4;/h2-6H2,1H3;2*3H,1-2H3;/q3*-1;+3.
What are the key properties of aluminum;hexan-1-olate;bis(propan-2-olate)?
aluminum;hexan-1-olate;bis(propan-2-olate) has a molecular weight of 246.33 g/mol, XLogP of 0.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;hexan-1-olate;bis(propan-2-olate) is sourced from PubChem (CID 102269267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).