lithium;tritert-butylalumane;hydroxide

C12H28AlLiO — CID 175406578

IUPAClithium;tritert-butylalumane;hydroxide
SMILESCC(C)(C)[Al](C(C)(C)C)C(C)(C)C.[Li+].[OH-]
InChIInChI=1S/3C4H9.Al.Li.H2O/c3*1-4(2)3;;;/h3*1-3H3;;;1H2/q;;;;+1;/p-1
InChIKeyDQGGFVSSJKERMU-UHFFFAOYSA-M
MW222.28 g/mol
LogP1.71
Rot. Bonds

About lithium;tritert-butylalumane;hydroxide

lithium;tritert-butylalumane;hydroxide (PubChem CID 175406578) has the molecular formula C12H28AlLiO and a molecular weight of 222.28 g/mol. Its IUPAC name is lithium;tritert-butylalumane;hydroxide.

Molecular Properties

Compound Namelithium;tritert-butylalumane;hydroxide
PubChem CID175406578
Molecular FormulaC12H28AlLiO
Molecular Weight222.28 g/mol
Exact Mass222.21
IUPAC Namelithium;tritert-butylalumane;hydroxide
SMILESCC(C)(C)[Al](C(C)(C)C)C(C)(C)C.[Li+].[OH-]
InChIInChI=1S/3C4H9.Al.Li.H2O/c3*1-4(2)3;;;/h3*1-3H3;;;1H2/q;;;;+1;/p-1
InChIKeyDQGGFVSSJKERMU-UHFFFAOYSA-M
XLogP1.71
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of lithium;tritert-butylalumane;hydroxide?
The IUPAC name of lithium;tritert-butylalumane;hydroxide (CID 175406578) is lithium;tritert-butylalumane;hydroxide.
What is the SMILES notation for lithium;tritert-butylalumane;hydroxide?
The canonical SMILES for lithium;tritert-butylalumane;hydroxide is CC(C)(C)[Al](C(C)(C)C)C(C)(C)C.[Li+].[OH-].
What is the InChIKey of lithium;tritert-butylalumane;hydroxide?
The InChIKey is DQGGFVSSJKERMU-UHFFFAOYSA-M. The full InChI is InChI=1S/3C4H9.Al.Li.H2O/c3*1-4(2)3;;;/h3*1-3H3;;;1H2/q;;;;+1;/p-1.
What are the key properties of lithium;tritert-butylalumane;hydroxide?
lithium;tritert-butylalumane;hydroxide has a molecular weight of 222.28 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;tritert-butylalumane;hydroxide is sourced from PubChem (CID 175406578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).