bis(2-methylpropyl)alumanylium;methanolate

C9H21AlO — CID 22253288

IUPACbis(2-methylpropyl)alumanylium;methanolate
SMILESCC(C)C[Al+]CC(C)C.C[O-]
InChIInChI=1S/2C4H9.CH3O.Al/c2*1-4(2)3;1-2;/h2*4H,1H2,2-3H3;1H3;/q;;-1;+1
InChIKeyPQYRGTGTFRXFEN-UHFFFAOYSA-N
MW172.25 g/mol
LogP1.82
Rot. Bonds4

About bis(2-methylpropyl)alumanylium;methanolate

bis(2-methylpropyl)alumanylium;methanolate (PubChem CID 22253288) has the molecular formula C9H21AlO and a molecular weight of 172.25 g/mol. Its IUPAC name is bis(2-methylpropyl)alumanylium;methanolate.

Molecular Properties

Compound Namebis(2-methylpropyl)alumanylium;methanolate
PubChem CID22253288
Molecular FormulaC9H21AlO
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC Namebis(2-methylpropyl)alumanylium;methanolate
SMILESCC(C)C[Al+]CC(C)C.C[O-]
InChIInChI=1S/2C4H9.CH3O.Al/c2*1-4(2)3;1-2;/h2*4H,1H2,2-3H3;1H3;/q;;-1;+1
InChIKeyPQYRGTGTFRXFEN-UHFFFAOYSA-N
XLogP1.82
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropyl)alumanylium;methanolate?
The IUPAC name of bis(2-methylpropyl)alumanylium;methanolate (CID 22253288) is bis(2-methylpropyl)alumanylium;methanolate.
What is the SMILES notation for bis(2-methylpropyl)alumanylium;methanolate?
The canonical SMILES for bis(2-methylpropyl)alumanylium;methanolate is CC(C)C[Al+]CC(C)C.C[O-].
What is the InChIKey of bis(2-methylpropyl)alumanylium;methanolate?
The InChIKey is PQYRGTGTFRXFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9.CH3O.Al/c2*1-4(2)3;1-2;/h2*4H,1H2,2-3H3;1H3;/q;;-1;+1.
What are the key properties of bis(2-methylpropyl)alumanylium;methanolate?
bis(2-methylpropyl)alumanylium;methanolate has a molecular weight of 172.25 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropyl)alumanylium;methanolate is sourced from PubChem (CID 22253288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).