carbon monoxide;4-methoxybut-2-ynylidenetungsten

C10H6O6W — CID 626390

IUPACcarbon monoxide;4-methoxybut-2-ynylidenetungsten
SMILESCOCC#CC=[W].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C5H6O.5CO.W/c1-3-4-5-6-2;5*1-2;/h1H,5H2,2H3;;;;;;
InChIKeyGUTDOGGUWWZTOB-UHFFFAOYSA-N
MW405.99 g/mol
LogP-0.20
Rot. Bonds1

About carbon monoxide;4-methoxybut-2-ynylidenetungsten

carbon monoxide;4-methoxybut-2-ynylidenetungsten (PubChem CID 626390) has the molecular formula C10H6O6W and a molecular weight of 405.99 g/mol. Its IUPAC name is carbon monoxide;4-methoxybut-2-ynylidenetungsten.

Molecular Properties

Compound Namecarbon monoxide;4-methoxybut-2-ynylidenetungsten
PubChem CID626390
Molecular FormulaC10H6O6W
Molecular Weight405.99 g/mol
Exact Mass405.97
IUPAC Namecarbon monoxide;4-methoxybut-2-ynylidenetungsten
SMILESCOCC#CC=[W].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C5H6O.5CO.W/c1-3-4-5-6-2;5*1-2;/h1H,5H2,2H3;;;;;;
InChIKeyGUTDOGGUWWZTOB-UHFFFAOYSA-N
XLogP-0.20
TPSA108.73 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.99
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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': 'triple_bond', 'substructure': 'N/A'}

Analyze carbon monoxide;4-methoxybut-2-ynylidenetungsten with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;4-methoxybut-2-ynylidenetungsten?
The IUPAC name of carbon monoxide;4-methoxybut-2-ynylidenetungsten (CID 626390) is carbon monoxide;4-methoxybut-2-ynylidenetungsten.
What is the SMILES notation for carbon monoxide;4-methoxybut-2-ynylidenetungsten?
The canonical SMILES for carbon monoxide;4-methoxybut-2-ynylidenetungsten is COCC#CC=[W].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;4-methoxybut-2-ynylidenetungsten?
The InChIKey is GUTDOGGUWWZTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O.5CO.W/c1-3-4-5-6-2;5*1-2;/h1H,5H2,2H3;;;;;;.
What are the key properties of carbon monoxide;4-methoxybut-2-ynylidenetungsten?
carbon monoxide;4-methoxybut-2-ynylidenetungsten has a molecular weight of 405.99 g/mol, XLogP of -0.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;4-methoxybut-2-ynylidenetungsten is sourced from PubChem (CID 626390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).