tris(2-ethylbutanoate);niobium(3+)

C18H33NbO6 — CID 173096666

IUPACtris(2-ethylbutanoate);niobium(3+)
SMILESCCC(CC)C(=O)[O-].CCC(CC)C(=O)[O-].CCC(CC)C(=O)[O-].[Nb+3]
InChIInChI=1S/3C6H12O2.Nb/c3*1-3-5(4-2)6(7)8;/h3*5H,3-4H2,1-2H3,(H,7,8);/q;;;+3/p-3
InChIKeyHEKJGVPTFLGKNK-UHFFFAOYSA-K
MW438.36 g/mol
LogP0.51
Rot. Bonds9

About tris(2-ethylbutanoate);niobium(3+)

tris(2-ethylbutanoate);niobium(3+) (PubChem CID 173096666) has the molecular formula C18H33NbO6 and a molecular weight of 438.36 g/mol. Its IUPAC name is tris(2-ethylbutanoate);niobium(3+).

Molecular Properties

Compound Nametris(2-ethylbutanoate);niobium(3+)
PubChem CID173096666
Molecular FormulaC18H33NbO6
Molecular Weight438.36 g/mol
Exact Mass438.13
IUPAC Nametris(2-ethylbutanoate);niobium(3+)
SMILESCCC(CC)C(=O)[O-].CCC(CC)C(=O)[O-].CCC(CC)C(=O)[O-].[Nb+3]
InChIInChI=1S/3C6H12O2.Nb/c3*1-3-5(4-2)6(7)8;/h3*5H,3-4H2,1-2H3,(H,7,8);/q;;;+3/p-3
InChIKeyHEKJGVPTFLGKNK-UHFFFAOYSA-K
XLogP0.51
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.36
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

lithium 2-ethylbutanoate
CID 23681528
bis(2-ethylbutanoate);propanedial
CID 21247443
sodium 2-(hydroxymethyl)butanoate
CID 23711714
dipotassium;2-ethylbutanedioate
CID 172823194
tetrakis(2-ethylhexanoate);tin(4+)
CID 22506300
bis(copper(1+));bis(2-ethylhexanoate)
CID 21116994
gallium 2-ethylhexanoate
CID 21118224
bis(2-ethylhexanoate);zirconium(2+)
CID 13388286
CID 21474875
CID 21474875
bis(2-ethylhexanoate);molybdenum(2+)
CID 19602338
tetrakis(2-ethylhexanoate);bis(zirconium(4+))
CID 175920407
tetrakis(2-ethylhexanoate);thorium(4+)
CID 175390088

Frequently Asked Questions

What is the IUPAC name of tris(2-ethylbutanoate);niobium(3+)?
The IUPAC name of tris(2-ethylbutanoate);niobium(3+) (CID 173096666) is tris(2-ethylbutanoate);niobium(3+).
What is the SMILES notation for tris(2-ethylbutanoate);niobium(3+)?
The canonical SMILES for tris(2-ethylbutanoate);niobium(3+) is CCC(CC)C(=O)[O-].CCC(CC)C(=O)[O-].CCC(CC)C(=O)[O-].[Nb+3].
What is the InChIKey of tris(2-ethylbutanoate);niobium(3+)?
The InChIKey is HEKJGVPTFLGKNK-UHFFFAOYSA-K. The full InChI is InChI=1S/3C6H12O2.Nb/c3*1-3-5(4-2)6(7)8;/h3*5H,3-4H2,1-2H3,(H,7,8);/q;;;+3/p-3.
What are the key properties of tris(2-ethylbutanoate);niobium(3+)?
tris(2-ethylbutanoate);niobium(3+) has a molecular weight of 438.36 g/mol, XLogP of 0.51, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-ethylbutanoate);niobium(3+) is sourced from PubChem (CID 173096666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).