diethylalumanylium;2-methylpropan-1-olate

C8H19AlO — CID 18669819

IUPACdiethylalumanylium;2-methylpropan-1-olate
SMILESCC(C)C[O-].CC[Al+]CC
InChIInChI=1S/C4H9O.2C2H5.Al/c1-4(2)3-5;2*1-2;/h4H,3H2,1-2H3;2*1H2,2H3;/q-1;;;+1
InChIKeyGJGOIIMCGUPQQZ-UHFFFAOYSA-N
MW158.22 g/mol
LogP1.57
Rot. Bonds3

About diethylalumanylium;2-methylpropan-1-olate

diethylalumanylium;2-methylpropan-1-olate (PubChem CID 18669819) has the molecular formula C8H19AlO and a molecular weight of 158.22 g/mol. Its IUPAC name is diethylalumanylium;2-methylpropan-1-olate.

Molecular Properties

Compound Namediethylalumanylium;2-methylpropan-1-olate
PubChem CID18669819
Molecular FormulaC8H19AlO
Molecular Weight158.22 g/mol
Exact Mass158.13
IUPAC Namediethylalumanylium;2-methylpropan-1-olate
SMILESCC(C)C[O-].CC[Al+]CC
InChIInChI=1S/C4H9O.2C2H5.Al/c1-4(2)3-5;2*1-2;/h4H,3H2,1-2H3;2*1H2,2H3;/q-1;;;+1
InChIKeyGJGOIIMCGUPQQZ-UHFFFAOYSA-N
XLogP1.57
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of diethylalumanylium;2-methylpropan-1-olate?
The IUPAC name of diethylalumanylium;2-methylpropan-1-olate (CID 18669819) is diethylalumanylium;2-methylpropan-1-olate.
What is the SMILES notation for diethylalumanylium;2-methylpropan-1-olate?
The canonical SMILES for diethylalumanylium;2-methylpropan-1-olate is CC(C)C[O-].CC[Al+]CC.
What is the InChIKey of diethylalumanylium;2-methylpropan-1-olate?
The InChIKey is GJGOIIMCGUPQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.2C2H5.Al/c1-4(2)3-5;2*1-2;/h4H,3H2,1-2H3;2*1H2,2H3;/q-1;;;+1.
What are the key properties of diethylalumanylium;2-methylpropan-1-olate?
diethylalumanylium;2-methylpropan-1-olate has a molecular weight of 158.22 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethylalumanylium;2-methylpropan-1-olate is sourced from PubChem (CID 18669819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).