butane;niobium(2+)

C8H18Nb — CID 150133889

IUPACbutane;niobium(2+)
SMILES[CH2-]CCC.[CH2-]CCC.[Nb+2]
InChIInChI=1S/2C4H9.Nb/c2*1-3-4-2;/h2*1,3-4H2,2H3;/q2*-1;+2
InChIKeyFBVCKRYSXPRLFA-UHFFFAOYSA-N
MW207.14 g/mol
LogP3.24
Rot. Bonds2

About butane;niobium(2+)

butane;niobium(2+) (PubChem CID 150133889) has the molecular formula C8H18Nb and a molecular weight of 207.14 g/mol. Its IUPAC name is butane;niobium(2+).

Molecular Properties

Compound Namebutane;niobium(2+)
PubChem CID150133889
Molecular FormulaC8H18Nb
Molecular Weight207.14 g/mol
Exact Mass207.05
IUPAC Namebutane;niobium(2+)
SMILES[CH2-]CCC.[CH2-]CCC.[Nb+2]
InChIInChI=1S/2C4H9.Nb/c2*1-3-4-2;/h2*1,3-4H2,2H3;/q2*-1;+2
InChIKeyFBVCKRYSXPRLFA-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.14
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butane;niobium(2+)?
The IUPAC name of butane;niobium(2+) (CID 150133889) is butane;niobium(2+).
What is the SMILES notation for butane;niobium(2+)?
The canonical SMILES for butane;niobium(2+) is [CH2-]CCC.[CH2-]CCC.[Nb+2].
What is the InChIKey of butane;niobium(2+)?
The InChIKey is FBVCKRYSXPRLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9.Nb/c2*1-3-4-2;/h2*1,3-4H2,2H3;/q2*-1;+2.
What are the key properties of butane;niobium(2+)?
butane;niobium(2+) has a molecular weight of 207.14 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;niobium(2+) is sourced from PubChem (CID 150133889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).