niobium(5+);pentakis(propan-2-olate)

C15H35NbO5 — CID 12540880

IUPACniobium(5+);pentakis(propan-2-olate)
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Nb+5]
InChIInChI=1S/5C3H7O.Nb/c5*1-3(2)4;/h5*3H,1-2H3;/q5*-1;+5
InChIKeyLZRGWUCHXWALGY-UHFFFAOYSA-N
MW388.35 g/mol
LogP-1.23
Rot. Bonds

About niobium(5+);pentakis(propan-2-olate)

niobium(5+);pentakis(propan-2-olate) (PubChem CID 12540880) has the molecular formula C15H35NbO5 and a molecular weight of 388.35 g/mol. Its IUPAC name is niobium(5+);pentakis(propan-2-olate).

Molecular Properties

Compound Nameniobium(5+);pentakis(propan-2-olate)
PubChem CID12540880
Molecular FormulaC15H35NbO5
Molecular Weight388.35 g/mol
Exact Mass388.15
IUPAC Nameniobium(5+);pentakis(propan-2-olate)
SMILESCC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Nb+5]
InChIInChI=1S/5C3H7O.Nb/c5*1-3(2)4;/h5*3H,1-2H3;/q5*-1;+5
InChIKeyLZRGWUCHXWALGY-UHFFFAOYSA-N
XLogP-1.23
TPSA115.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 5-1.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of niobium(5+);pentakis(propan-2-olate)?
The IUPAC name of niobium(5+);pentakis(propan-2-olate) (CID 12540880) is niobium(5+);pentakis(propan-2-olate).
What is the SMILES notation for niobium(5+);pentakis(propan-2-olate)?
The canonical SMILES for niobium(5+);pentakis(propan-2-olate) is CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Nb+5].
What is the InChIKey of niobium(5+);pentakis(propan-2-olate)?
The InChIKey is LZRGWUCHXWALGY-UHFFFAOYSA-N. The full InChI is InChI=1S/5C3H7O.Nb/c5*1-3(2)4;/h5*3H,1-2H3;/q5*-1;+5.
What are the key properties of niobium(5+);pentakis(propan-2-olate)?
niobium(5+);pentakis(propan-2-olate) has a molecular weight of 388.35 g/mol, XLogP of -1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for niobium(5+);pentakis(propan-2-olate) is sourced from PubChem (CID 12540880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).