carbon monoxide;dimethyl 5,6,7-trimethyl-7-phosphoniabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate;tungsten

C18H18O9PW+ — CID 164683782

About carbon monoxide;dimethyl 5,6,7-trimethyl-7-phosphoniabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate;tungsten

carbon monoxide;dimethyl 5,6,7-trimethyl-7-phosphoniabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate;tungsten (PubChem CID 164683782) has the molecular formula C18H18O9PW+ and a molecular weight of 593.15 g/mol. Its IUPAC name is carbon monoxide;dimethyl 5,6,7-trimethyl-7-phosphoniabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate;tungsten.

Molecular Properties

• Compound Name: carbon monoxide;dimethyl 5,6,7-trimethyl-7-phosphoniabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate;tungsten
• PubChem CID: 164683782
• Molecular Formula: C18H18O9PW+
• Molecular Weight: 593.15 g/mol
• Exact Mass: 593.02
• IUPAC Name: carbon monoxide;dimethyl 5,6,7-trimethyl-7-phosphoniabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate;tungsten
• SMILES: COC(=O)C1=C(C(=O)OC)C2C(C)=C(C)C1[PH+]2C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[W]
• InChI: InChI=1S/C13H17O4P.5CO.W/c1-6-7(2)11-9(13(15)17-4)8(12(14)16-3)10(6)18(11)5;5*1-2;/h10-11H,1-5H3;;;;;;/p+1
• InChIKey: QCAJLWVBYKOUIK-UHFFFAOYSA-O
• XLogP: 1.38
• TPSA: 152.10 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	593.15
LogP ≤ 5	1.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;dimethyl 5,6,7-trimethyl-7-phosphoniabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate;tungsten?

The IUPAC name of carbon monoxide;dimethyl 5,6,7-trimethyl-7-phosphoniabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate;tungsten (CID 164683782) is carbon monoxide;dimethyl 5,6,7-trimethyl-7-phosphoniabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate;tungsten.

What is the SMILES notation for carbon monoxide;dimethyl 5,6,7-trimethyl-7-phosphoniabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate;tungsten?

The canonical SMILES for carbon monoxide;dimethyl 5,6,7-trimethyl-7-phosphoniabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate;tungsten is COC(=O)C1=C(C(=O)OC)C2C(C)=C(C)C1[PH+]2C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[W].

What is the InChIKey of carbon monoxide;dimethyl 5,6,7-trimethyl-7-phosphoniabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate;tungsten?

The InChIKey is QCAJLWVBYKOUIK-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H17O4P.5CO.W/c1-6-7(2)11-9(13(15)17-4)8(12(14)16-3)10(6)18(11)5;5*1-2;/h10-11H,1-5H3;;;;;;/p+1.

What are the key properties of carbon monoxide;dimethyl 5,6,7-trimethyl-7-phosphoniabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate;tungsten?

carbon monoxide;dimethyl 5,6,7-trimethyl-7-phosphoniabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate;tungsten has a molecular weight of 593.15 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for carbon monoxide;dimethyl 5,6,7-trimethyl-7-phosphoniabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate;tungsten is sourced from PubChem (CID 164683782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).