2-methanidylbutane;tungsten

C5H11W5- — CID 59594159

IUPAC2-methanidylbutane;tungsten
SMILES[CH2-]C(C)CC.[W].[W].[W].[W].[W]
InChIInChI=1S/C5H11.5W/c1-4-5(2)3;;;;;/h5H,2,4H2,1,3H3;;;;;/q-1;;;;;
InChIKeyRPUBNQLQEJMINM-UHFFFAOYSA-N
MW990.34 g/mol
LogP1.85
Rot. Bonds1

About 2-methanidylbutane;tungsten

2-methanidylbutane;tungsten (PubChem CID 59594159) has the molecular formula C5H11W5- and a molecular weight of 990.34 g/mol. Its IUPAC name is 2-methanidylbutane;tungsten.

Molecular Properties

Compound Name2-methanidylbutane;tungsten
PubChem CID59594159
Molecular FormulaC5H11W5-
Molecular Weight990.34 g/mol
Exact Mass990.84
IUPAC Name2-methanidylbutane;tungsten
SMILES[CH2-]C(C)CC.[W].[W].[W].[W].[W]
InChIInChI=1S/C5H11.5W/c1-4-5(2)3;;;;;/h5H,2,4H2,1,3H3;;;;;/q-1;;;;;
InChIKeyRPUBNQLQEJMINM-UHFFFAOYSA-N
XLogP1.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500990.34
LogP ≤ 51.85
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 2-methanidylbutane;tungsten?
The IUPAC name of 2-methanidylbutane;tungsten (CID 59594159) is 2-methanidylbutane;tungsten.
What is the SMILES notation for 2-methanidylbutane;tungsten?
The canonical SMILES for 2-methanidylbutane;tungsten is [CH2-]C(C)CC.[W].[W].[W].[W].[W].
What is the InChIKey of 2-methanidylbutane;tungsten?
The InChIKey is RPUBNQLQEJMINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11.5W/c1-4-5(2)3;;;;;/h5H,2,4H2,1,3H3;;;;;/q-1;;;;;.
What are the key properties of 2-methanidylbutane;tungsten?
2-methanidylbutane;tungsten has a molecular weight of 990.34 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanidylbutane;tungsten is sourced from PubChem (CID 59594159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).