tris(butan-1-olate);niobium(3+)

C12H27NbO3 — CID 161059025

IUPACtris(butan-1-olate);niobium(3+)
SMILESCCCC[O-].CCCC[O-].CCCC[O-].[Nb+3]
InChIInChI=1S/3C4H9O.Nb/c3*1-2-3-4-5;/h3*2-4H2,1H3;/q3*-1;+3
InChIKeyUDDLYYVZLWIVMI-UHFFFAOYSA-N
MW312.25 g/mol
LogP0.44
Rot. Bonds6

About tris(butan-1-olate);niobium(3+)

tris(butan-1-olate);niobium(3+) (PubChem CID 161059025) has the molecular formula C12H27NbO3 and a molecular weight of 312.25 g/mol. Its IUPAC name is tris(butan-1-olate);niobium(3+).

Molecular Properties

Compound Nametris(butan-1-olate);niobium(3+)
PubChem CID161059025
Molecular FormulaC12H27NbO3
Molecular Weight312.25 g/mol
Exact Mass312.10
IUPAC Nametris(butan-1-olate);niobium(3+)
SMILESCCCC[O-].CCCC[O-].CCCC[O-].[Nb+3]
InChIInChI=1S/3C4H9O.Nb/c3*1-2-3-4-5;/h3*2-4H2,1H3;/q3*-1;+3
InChIKeyUDDLYYVZLWIVMI-UHFFFAOYSA-N
XLogP0.44
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Aluminum butylate
CID 6451513
Tributyl borate
CID 12712
Dibutyl peroxide
CID 77458
Butyl sulfite
CID 69384
Ethanol, niobium(5+) salt (5:1)
CID 160675
1-(Butoxydisulfanyl)oxybutane
CID 14251686
1-Butanol, antimony(3+) salt (3:1)
CID 102217
Aluminum tributoxide, 95%
CID 16684880
Lead dibutanolate
CID 6455035
Antimony(III) propoxide
CID 16685265
1-Butanol, magnesium salt (2:1)
CID 167494
1-Butanol, niobium(5+) salt (5:1)
CID 170957

Frequently Asked Questions

What is the IUPAC name of tris(butan-1-olate);niobium(3+)?
The IUPAC name of tris(butan-1-olate);niobium(3+) (CID 161059025) is tris(butan-1-olate);niobium(3+).
What is the SMILES notation for tris(butan-1-olate);niobium(3+)?
The canonical SMILES for tris(butan-1-olate);niobium(3+) is CCCC[O-].CCCC[O-].CCCC[O-].[Nb+3].
What is the InChIKey of tris(butan-1-olate);niobium(3+)?
The InChIKey is UDDLYYVZLWIVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9O.Nb/c3*1-2-3-4-5;/h3*2-4H2,1H3;/q3*-1;+3.
What are the key properties of tris(butan-1-olate);niobium(3+)?
tris(butan-1-olate);niobium(3+) has a molecular weight of 312.25 g/mol, XLogP of 0.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(butan-1-olate);niobium(3+) is sourced from PubChem (CID 161059025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).