lithium;niobium(5+);hexakis(propan-2-olate)

C18H42LiNbO6 — CID 131675684

IUPAClithium;niobium(5+);hexakis(propan-2-olate)
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Li+].[Nb+5]
InChIInChI=1S/6C3H7O.Li.Nb/c6*1-3(2)4;;/h6*3H,1-2H3;;/q6*-1;+1;+5
InChIKeyOJVASGRNEXIDBJ-UHFFFAOYSA-N
MW454.38 g/mol
LogP-4.47
Rot. Bonds

About lithium;niobium(5+);hexakis(propan-2-olate)

lithium;niobium(5+);hexakis(propan-2-olate) (PubChem CID 131675684) has the molecular formula C18H42LiNbO6 and a molecular weight of 454.38 g/mol. Its IUPAC name is lithium;niobium(5+);hexakis(propan-2-olate).

Molecular Properties

Compound Namelithium;niobium(5+);hexakis(propan-2-olate)
PubChem CID131675684
Molecular FormulaC18H42LiNbO6
Molecular Weight454.38 g/mol
Exact Mass454.22
IUPAC Namelithium;niobium(5+);hexakis(propan-2-olate)
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Li+].[Nb+5]
InChIInChI=1S/6C3H7O.Li.Nb/c6*1-3(2)4;;/h6*3H,1-2H3;;/q6*-1;+1;+5
InChIKeyOJVASGRNEXIDBJ-UHFFFAOYSA-N
XLogP-4.47
TPSA138.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.38
LogP ≤ 5-4.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 2734042
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CID 162338231
hafnium(4+);bis(propan-2-olate)
CID 22242333
hafnium;bis(propan-2-olate)
CID 157404523
manganese(3+);tris(propan-2-olate)
CID 91971223
molybdenum;hexakis(propan-2-olate)
CID 138991740
pentakis(europium(3+));oxygen(2-);tridecakis(propan-2-olate)
CID 139133025
CID 173069963
CID 173069963
sodium;pentakis(propan-2-olate);titanium(4+)
CID 15772239
potassium;sodium;bis(propan-2-olate)
CID 141167841
propan-2-olate;titanium(4+);triiodide
CID 174248492

Frequently Asked Questions

What is the IUPAC name of lithium;niobium(5+);hexakis(propan-2-olate)?
The IUPAC name of lithium;niobium(5+);hexakis(propan-2-olate) (CID 131675684) is lithium;niobium(5+);hexakis(propan-2-olate).
What is the SMILES notation for lithium;niobium(5+);hexakis(propan-2-olate)?
The canonical SMILES for lithium;niobium(5+);hexakis(propan-2-olate) is CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Li+].[Nb+5].
What is the InChIKey of lithium;niobium(5+);hexakis(propan-2-olate)?
The InChIKey is OJVASGRNEXIDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/6C3H7O.Li.Nb/c6*1-3(2)4;;/h6*3H,1-2H3;;/q6*-1;+1;+5.
What are the key properties of lithium;niobium(5+);hexakis(propan-2-olate)?
lithium;niobium(5+);hexakis(propan-2-olate) has a molecular weight of 454.38 g/mol, XLogP of -4.47, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;niobium(5+);hexakis(propan-2-olate) is sourced from PubChem (CID 131675684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).