butane;tris(rubidium(1+))

C4H9Rb3+2 — CID 59203345

IUPACbutane;tris(rubidium(1+))
SMILES[CH2-]CCC.[Rb+].[Rb+].[Rb+]
InChIInChI=1S/C4H9.3Rb/c1-3-4-2;;;/h1,3-4H2,2H3;;;/q-1;3*+1
InChIKeyIZGLXJUMXYAPTG-UHFFFAOYSA-N
MW313.52 g/mol
LogP-7.37
Rot. Bonds1

About butane;tris(rubidium(1+))

butane;tris(rubidium(1+)) (PubChem CID 59203345) has the molecular formula C4H9Rb3+2 and a molecular weight of 313.52 g/mol. Its IUPAC name is butane;tris(rubidium(1+)).

Molecular Properties

Compound Namebutane;tris(rubidium(1+))
PubChem CID59203345
Molecular FormulaC4H9Rb3+2
Molecular Weight313.52 g/mol
Exact Mass311.80
IUPAC Namebutane;tris(rubidium(1+))
SMILES[CH2-]CCC.[Rb+].[Rb+].[Rb+]
InChIInChI=1S/C4H9.3Rb/c1-3-4-2;;;/h1,3-4H2,2H3;;;/q-1;3*+1
InChIKeyIZGLXJUMXYAPTG-UHFFFAOYSA-N
XLogP-7.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.52
LogP ≤ 5-7.37
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;tris(rubidium(1+))?
The IUPAC name of butane;tris(rubidium(1+)) (CID 59203345) is butane;tris(rubidium(1+)).
What is the SMILES notation for butane;tris(rubidium(1+))?
The canonical SMILES for butane;tris(rubidium(1+)) is [CH2-]CCC.[Rb+].[Rb+].[Rb+].
What is the InChIKey of butane;tris(rubidium(1+))?
The InChIKey is IZGLXJUMXYAPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9.3Rb/c1-3-4-2;;;/h1,3-4H2,2H3;;;/q-1;3*+1.
What are the key properties of butane;tris(rubidium(1+))?
butane;tris(rubidium(1+)) has a molecular weight of 313.52 g/mol, XLogP of -7.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;tris(rubidium(1+)) is sourced from PubChem (CID 59203345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).