carbon monoxide;tributylphosphanium;tungsten

C17H28O5PW+ — CID 6327341

IUPACcarbon monoxide;tributylphosphanium;tungsten
SMILESCCCC[PH+](CCCC)CCCC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[W]
InChIInChI=1S/C12H27P.5CO.W/c1-4-7-10-13(11-8-5-2)12-9-6-3;5*1-2;/h4-12H2,1-3H3;;;;;;/p+1
InChIKeyKZTSZIPULGBOCJ-UHFFFAOYSA-O
MW527.22 g/mol
LogP4.41
Rot. Bonds9

About carbon monoxide;tributylphosphanium;tungsten

carbon monoxide;tributylphosphanium;tungsten (PubChem CID 6327341) has the molecular formula C17H28O5PW+ and a molecular weight of 527.22 g/mol. Its IUPAC name is carbon monoxide;tributylphosphanium;tungsten.

Molecular Properties

Compound Namecarbon monoxide;tributylphosphanium;tungsten
PubChem CID6327341
Molecular FormulaC17H28O5PW+
Molecular Weight527.22 g/mol
Exact Mass527.12
IUPAC Namecarbon monoxide;tributylphosphanium;tungsten
SMILESCCCC[PH+](CCCC)CCCC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[W]
InChIInChI=1S/C12H27P.5CO.W/c1-4-7-10-13(11-8-5-2)12-9-6-3;5*1-2;/h4-12H2,1-3H3;;;;;;/p+1
InChIKeyKZTSZIPULGBOCJ-UHFFFAOYSA-O
XLogP4.41
TPSA99.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.22
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;tributylphosphanium;tungsten?
The IUPAC name of carbon monoxide;tributylphosphanium;tungsten (CID 6327341) is carbon monoxide;tributylphosphanium;tungsten.
What is the SMILES notation for carbon monoxide;tributylphosphanium;tungsten?
The canonical SMILES for carbon monoxide;tributylphosphanium;tungsten is CCCC[PH+](CCCC)CCCC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[W].
What is the InChIKey of carbon monoxide;tributylphosphanium;tungsten?
The InChIKey is KZTSZIPULGBOCJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H27P.5CO.W/c1-4-7-10-13(11-8-5-2)12-9-6-3;5*1-2;/h4-12H2,1-3H3;;;;;;/p+1.
What are the key properties of carbon monoxide;tributylphosphanium;tungsten?
carbon monoxide;tributylphosphanium;tungsten has a molecular weight of 527.22 g/mol, XLogP of 4.41, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;tributylphosphanium;tungsten is sourced from PubChem (CID 6327341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).