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

C14H31AlO3 — CID 102269268

IUPACaluminum;2-ethylhexan-1-olate;bis(propan-2-olate)
SMILESCC(C)[O-].CC(C)[O-].CCCCC(CC)C[O-].[Al+3]
InChIInChI=1S/C8H17O.2C3H7O.Al/c1-3-5-6-8(4-2)7-9;2*1-3(2)4;/h8H,3-7H2,1-2H3;2*3H,1-2H3;/q3*-1;+3
InChIKeyMRXOPNQJIZJEFV-UHFFFAOYSA-N
MW274.38 g/mol
LogP0.69
Rot. Bonds5

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

aluminum;2-ethylhexan-1-olate;bis(propan-2-olate) (PubChem CID 102269268) has the molecular formula C14H31AlO3 and a molecular weight of 274.38 g/mol. Its IUPAC name is aluminum;2-ethylhexan-1-olate;bis(propan-2-olate).

Molecular Properties

Compound Namealuminum;2-ethylhexan-1-olate;bis(propan-2-olate)
PubChem CID102269268
Molecular FormulaC14H31AlO3
Molecular Weight274.38 g/mol
Exact Mass274.21
IUPAC Namealuminum;2-ethylhexan-1-olate;bis(propan-2-olate)
SMILESCC(C)[O-].CC(C)[O-].CCCCC(CC)C[O-].[Al+3]
InChIInChI=1S/C8H17O.2C3H7O.Al/c1-3-5-6-8(4-2)7-9;2*1-3(2)4;/h8H,3-7H2,1-2H3;2*3H,1-2H3;/q3*-1;+3
InChIKeyMRXOPNQJIZJEFV-UHFFFAOYSA-N
XLogP0.69
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of aluminum;2-ethylhexan-1-olate;bis(propan-2-olate)?
The IUPAC name of aluminum;2-ethylhexan-1-olate;bis(propan-2-olate) (CID 102269268) is aluminum;2-ethylhexan-1-olate;bis(propan-2-olate).
What is the SMILES notation for aluminum;2-ethylhexan-1-olate;bis(propan-2-olate)?
The canonical SMILES for aluminum;2-ethylhexan-1-olate;bis(propan-2-olate) is CC(C)[O-].CC(C)[O-].CCCCC(CC)C[O-].[Al+3].
What is the InChIKey of aluminum;2-ethylhexan-1-olate;bis(propan-2-olate)?
The InChIKey is MRXOPNQJIZJEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O.2C3H7O.Al/c1-3-5-6-8(4-2)7-9;2*1-3(2)4;/h8H,3-7H2,1-2H3;2*3H,1-2H3;/q3*-1;+3.
What are the key properties of aluminum;2-ethylhexan-1-olate;bis(propan-2-olate)?
aluminum;2-ethylhexan-1-olate;bis(propan-2-olate) has a molecular weight of 274.38 g/mol, XLogP of 0.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;2-ethylhexan-1-olate;bis(propan-2-olate) is sourced from PubChem (CID 102269268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).