bis(2-methylpropyl)alumanylium;dipropylalumanylium;ethanolate

C18H42Al2O2 — CID 159316887

IUPACbis(2-methylpropyl)alumanylium;dipropylalumanylium;ethanolate
SMILESCC(C)C[Al+]CC(C)C.CCC[Al+]CCC.CC[O-].CC[O-]
InChIInChI=1S/2C4H9.2C3H7.2C2H5O.2Al/c2*1-4(2)3;2*1-3-2;2*1-2-3;;/h2*4H,1H2,2-3H3;2*1,3H2,2H3;2*2H2,1H3;;/q;;;;2*-1;2*+1
InChIKeyLDGDHNVIYRSTTJ-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.92
Rot. Bonds8

About bis(2-methylpropyl)alumanylium;dipropylalumanylium;ethanolate

bis(2-methylpropyl)alumanylium;dipropylalumanylium;ethanolate (PubChem CID 159316887) has the molecular formula C18H42Al2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is bis(2-methylpropyl)alumanylium;dipropylalumanylium;ethanolate.

Molecular Properties

Compound Namebis(2-methylpropyl)alumanylium;dipropylalumanylium;ethanolate
PubChem CID159316887
Molecular FormulaC18H42Al2O2
Molecular Weight344.50 g/mol
Exact Mass344.28
IUPAC Namebis(2-methylpropyl)alumanylium;dipropylalumanylium;ethanolate
SMILESCC(C)C[Al+]CC(C)C.CCC[Al+]CCC.CC[O-].CC[O-]
InChIInChI=1S/2C4H9.2C3H7.2C2H5O.2Al/c2*1-4(2)3;2*1-3-2;2*1-2-3;;/h2*4H,1H2,2-3H3;2*1,3H2,2H3;2*2H2,1H3;;/q;;;;2*-1;2*+1
InChIKeyLDGDHNVIYRSTTJ-UHFFFAOYSA-N
XLogP3.92
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(2-methylpropyl)alumanylium;propan-2-olate
CID 18622245
bis(2-methylpropyl)alumanylium;heptane;hydride
CID 173374934
bis(2-methylpropyl)alumanylium;hydride;methane
CID 174805102
dipropylalumanylium;hexane;hydride
CID 175456886
bis(3-methylhexyl)alumanylium
CID 90200144
ethanolate;tetrakis(propan-2-olate);bis(silicon(4+))
CID 158885954
chloromethyl(propyl)alumanylium
CID 175105560
CID 158416389
CID 158416389
erbium(3+);ethanolate
CID 14029842
ethanolate;niobium
CID 18534493
CID 159434150
CID 159434150
ethanolate;vanadium(2+)
CID 160956004

Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropyl)alumanylium;dipropylalumanylium;ethanolate?
The IUPAC name of bis(2-methylpropyl)alumanylium;dipropylalumanylium;ethanolate (CID 159316887) is bis(2-methylpropyl)alumanylium;dipropylalumanylium;ethanolate.
What is the SMILES notation for bis(2-methylpropyl)alumanylium;dipropylalumanylium;ethanolate?
The canonical SMILES for bis(2-methylpropyl)alumanylium;dipropylalumanylium;ethanolate is CC(C)C[Al+]CC(C)C.CCC[Al+]CCC.CC[O-].CC[O-].
What is the InChIKey of bis(2-methylpropyl)alumanylium;dipropylalumanylium;ethanolate?
The InChIKey is LDGDHNVIYRSTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9.2C3H7.2C2H5O.2Al/c2*1-4(2)3;2*1-3-2;2*1-2-3;;/h2*4H,1H2,2-3H3;2*1,3H2,2H3;2*2H2,1H3;;/q;;;;2*-1;2*+1.
What are the key properties of bis(2-methylpropyl)alumanylium;dipropylalumanylium;ethanolate?
bis(2-methylpropyl)alumanylium;dipropylalumanylium;ethanolate has a molecular weight of 344.50 g/mol, XLogP of 3.92, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropyl)alumanylium;dipropylalumanylium;ethanolate is sourced from PubChem (CID 159316887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).