lithium tributyl(methyl)alumanuide

C13H30AlLi — CID 19693735

IUPAClithium tributyl(methyl)alumanuide
SMILESCCCC[Al-](C)(CCCC)CCCC.[Li+]
InChIInChI=1S/3C4H9.CH3.Al.Li/c3*1-3-4-2;;;/h3*1,3-4H2,2H3;1H3;;/q;;;;-1;+1
InChIKeyXQWCSGWFQDQVEH-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.47
Rot. Bonds9

About lithium tributyl(methyl)alumanuide

lithium tributyl(methyl)alumanuide (PubChem CID 19693735) has the molecular formula C13H30AlLi and a molecular weight of 220.31 g/mol. Its IUPAC name is lithium tributyl(methyl)alumanuide.

Molecular Properties

Compound Namelithium tributyl(methyl)alumanuide
PubChem CID19693735
Molecular FormulaC13H30AlLi
Molecular Weight220.31 g/mol
Exact Mass220.23
IUPAC Namelithium tributyl(methyl)alumanuide
SMILESCCCC[Al-](C)(CCCC)CCCC.[Li+]
InChIInChI=1S/3C4H9.CH3.Al.Li/c3*1-3-4-2;;;/h3*1,3-4H2,2H3;1H3;;/q;;;;-1;+1
InChIKeyXQWCSGWFQDQVEH-UHFFFAOYSA-N
XLogP2.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of lithium tributyl(methyl)alumanuide?
The IUPAC name of lithium tributyl(methyl)alumanuide (CID 19693735) is lithium tributyl(methyl)alumanuide.
What is the SMILES notation for lithium tributyl(methyl)alumanuide?
The canonical SMILES for lithium tributyl(methyl)alumanuide is CCCC[Al-](C)(CCCC)CCCC.[Li+].
What is the InChIKey of lithium tributyl(methyl)alumanuide?
The InChIKey is XQWCSGWFQDQVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9.CH3.Al.Li/c3*1-3-4-2;;;/h3*1,3-4H2,2H3;1H3;;/q;;;;-1;+1.
What are the key properties of lithium tributyl(methyl)alumanuide?
lithium tributyl(methyl)alumanuide has a molecular weight of 220.31 g/mol, XLogP of 2.47, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium tributyl(methyl)alumanuide is sourced from PubChem (CID 19693735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).