trilithium;tris(butan-2-olate)

C12H27Li3O3 — CID 162372928

IUPACtrilithium;tris(butan-2-olate)
SMILESCCC(C)[O-].CCC(C)[O-].CCC(C)[O-].[Li+].[Li+].[Li+]
InChIInChI=1S/3C4H9O.3Li/c3*1-3-4(2)5;;;/h3*4H,3H2,1-2H3;;;/q3*-1;3*+1
InChIKeyVOUXSQJSAWWPPW-UHFFFAOYSA-N
MW240.17 g/mol
LogP-8.55
Rot. Bonds3

About trilithium;tris(butan-2-olate)

trilithium;tris(butan-2-olate) (PubChem CID 162372928) has the molecular formula C12H27Li3O3 and a molecular weight of 240.17 g/mol. Its IUPAC name is trilithium;tris(butan-2-olate).

Molecular Properties

Compound Nametrilithium;tris(butan-2-olate)
PubChem CID162372928
Molecular FormulaC12H27Li3O3
Molecular Weight240.17 g/mol
Exact Mass240.24
IUPAC Nametrilithium;tris(butan-2-olate)
SMILESCCC(C)[O-].CCC(C)[O-].CCC(C)[O-].[Li+].[Li+].[Li+]
InChIInChI=1S/3C4H9O.3Li/c3*1-3-4(2)5;;;/h3*4H,3H2,1-2H3;;;/q3*-1;3*+1
InChIKeyVOUXSQJSAWWPPW-UHFFFAOYSA-N
XLogP-8.55
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.17
LogP ≤ 5-8.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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distrontium;1-methoxypropan-1-olate;propan-2-olate
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copper bis(3-methylpentan-2-olate)
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3-aminobutyl(methyl)tin(2+);bis(butan-2-olate)
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2-methylbutane
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2-methylbutane
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lithium;niobium(5+);hexakis(propan-2-olate)
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ethanolate;tetrakis(propan-2-olate);bis(silicon(4+))
CID 158885954
1-hydroxypropan-2-olate
CID 21225559
bis(chromium(3+));tris(pentane-2,4-diolate)
CID 173281053
bis(dysprosium(3+));tris(pentane-2,4-diolate)
CID 173131717
CID 173320783
CID 173320783

Frequently Asked Questions

What is the IUPAC name of trilithium;tris(butan-2-olate)?
The IUPAC name of trilithium;tris(butan-2-olate) (CID 162372928) is trilithium;tris(butan-2-olate).
What is the SMILES notation for trilithium;tris(butan-2-olate)?
The canonical SMILES for trilithium;tris(butan-2-olate) is CCC(C)[O-].CCC(C)[O-].CCC(C)[O-].[Li+].[Li+].[Li+].
What is the InChIKey of trilithium;tris(butan-2-olate)?
The InChIKey is VOUXSQJSAWWPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9O.3Li/c3*1-3-4(2)5;;;/h3*4H,3H2,1-2H3;;;/q3*-1;3*+1.
What are the key properties of trilithium;tris(butan-2-olate)?
trilithium;tris(butan-2-olate) has a molecular weight of 240.17 g/mol, XLogP of -8.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trilithium;tris(butan-2-olate) is sourced from PubChem (CID 162372928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).