lithium tris(3-ethylpentan-3-yloxy)alumanuide

C21H46AlLiO3 — CID 117059139

IUPAClithium tris(3-ethylpentan-3-yloxy)alumanuide
SMILESCCC(CC)(CC)O[AlH-](OC(CC)(CC)CC)OC(CC)(CC)CC.[Li+]
InChIInChI=1S/3C7H15O.Al.Li.H/c3*1-4-7(8,5-2)6-3;;;/h3*4-6H2,1-3H3;;;/q3*-1;+2;+1;
InChIKeyFXBRQZDWJRAIEB-UHFFFAOYSA-N
MW380.52 g/mol
LogP3.66
Rot. Bonds15

About lithium tris(3-ethylpentan-3-yloxy)alumanuide

lithium tris(3-ethylpentan-3-yloxy)alumanuide (PubChem CID 117059139) has the molecular formula C21H46AlLiO3 and a molecular weight of 380.52 g/mol. Its IUPAC name is lithium tris(3-ethylpentan-3-yloxy)alumanuide.

Molecular Properties

Compound Namelithium tris(3-ethylpentan-3-yloxy)alumanuide
PubChem CID117059139
Molecular FormulaC21H46AlLiO3
Molecular Weight380.52 g/mol
Exact Mass380.34
IUPAC Namelithium tris(3-ethylpentan-3-yloxy)alumanuide
SMILESCCC(CC)(CC)O[AlH-](OC(CC)(CC)CC)OC(CC)(CC)CC.[Li+]
InChIInChI=1S/3C7H15O.Al.Li.H/c3*1-4-7(8,5-2)6-3;;;/h3*4-6H2,1-3H3;;;/q3*-1;+2;+1;
InChIKeyFXBRQZDWJRAIEB-UHFFFAOYSA-N
XLogP3.66
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 174323452
CID 21072175
CID 21072175
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CID 141423209
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Frequently Asked Questions

What is the IUPAC name of lithium tris(3-ethylpentan-3-yloxy)alumanuide?
The IUPAC name of lithium tris(3-ethylpentan-3-yloxy)alumanuide (CID 117059139) is lithium tris(3-ethylpentan-3-yloxy)alumanuide.
What is the SMILES notation for lithium tris(3-ethylpentan-3-yloxy)alumanuide?
The canonical SMILES for lithium tris(3-ethylpentan-3-yloxy)alumanuide is CCC(CC)(CC)O[AlH-](OC(CC)(CC)CC)OC(CC)(CC)CC.[Li+].
What is the InChIKey of lithium tris(3-ethylpentan-3-yloxy)alumanuide?
The InChIKey is FXBRQZDWJRAIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H15O.Al.Li.H/c3*1-4-7(8,5-2)6-3;;;/h3*4-6H2,1-3H3;;;/q3*-1;+2;+1;.
What are the key properties of lithium tris(3-ethylpentan-3-yloxy)alumanuide?
lithium tris(3-ethylpentan-3-yloxy)alumanuide has a molecular weight of 380.52 g/mol, XLogP of 3.66, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium tris(3-ethylpentan-3-yloxy)alumanuide is sourced from PubChem (CID 117059139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).