trilithium;tris(butan-1-olate)

C12H27Li3O3 — CID 155673085

IUPACtrilithium;tris(butan-1-olate)
SMILESCCCC[O-].CCCC[O-].CCCC[O-].[Li+].[Li+].[Li+]
InChIInChI=1S/3C4H9O.3Li/c3*1-2-3-4-5;;;/h3*2-4H2,1H3;;;/q3*-1;3*+1
InChIKeyGWBQKPSBYMTNOO-UHFFFAOYSA-N
MW240.17 g/mol
LogP-8.55
Rot. Bonds6

About trilithium;tris(butan-1-olate)

trilithium;tris(butan-1-olate) (PubChem CID 155673085) has the molecular formula C12H27Li3O3 and a molecular weight of 240.17 g/mol. Its IUPAC name is trilithium;tris(butan-1-olate).

Molecular Properties

Compound Nametrilithium;tris(butan-1-olate)
PubChem CID155673085
Molecular FormulaC12H27Li3O3
Molecular Weight240.17 g/mol
Exact Mass240.24
IUPAC Nametrilithium;tris(butan-1-olate)
SMILESCCCC[O-].CCCC[O-].CCCC[O-].[Li+].[Li+].[Li+]
InChIInChI=1S/3C4H9O.3Li/c3*1-2-3-4-5;;;/h3*2-4H2,1H3;;;/q3*-1;3*+1
InChIKeyGWBQKPSBYMTNOO-UHFFFAOYSA-N
XLogP-8.55
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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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tetrakis(butan-1-olate);hafnium(4+)
CID 10140113
tetrakis(butan-1-olate);germanium(4+)
CID 91868535
tetrakis(butan-1-olate);vanadium(4+)
CID 14438320
tris(butan-1-olate);yttrium(3+)
CID 11536856
butan-1-olate;rubidium(1+)
CID 23701266
decakis(butan-1-olate);tris(oxygen(2-));tetrakis(titanium(4+))
CID 53384475
strontium;hexakis(butan-1-olate);titanium(4+)
CID 161415283
butan-1-olate;hydride;zirconium(4+)
CID 22376038
bis(butan-1-olate);methanolate;titanium(4+)
CID 14574622
barium(2+);hexakis(butan-1-olate);titanium(4+)
CID 159496938

Frequently Asked Questions

What is the IUPAC name of trilithium;tris(butan-1-olate)?
The IUPAC name of trilithium;tris(butan-1-olate) (CID 155673085) is trilithium;tris(butan-1-olate).
What is the SMILES notation for trilithium;tris(butan-1-olate)?
The canonical SMILES for trilithium;tris(butan-1-olate) is CCCC[O-].CCCC[O-].CCCC[O-].[Li+].[Li+].[Li+].
What is the InChIKey of trilithium;tris(butan-1-olate)?
The InChIKey is GWBQKPSBYMTNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9O.3Li/c3*1-2-3-4-5;;;/h3*2-4H2,1H3;;;/q3*-1;3*+1.
What are the key properties of trilithium;tris(butan-1-olate)?
trilithium;tris(butan-1-olate) has a molecular weight of 240.17 g/mol, XLogP of -8.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trilithium;tris(butan-1-olate) is sourced from PubChem (CID 155673085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).