About carbon monoxide;[[7-(cyclopenten-1-yl)-2,4-dioxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten
carbon monoxide;[[7-(cyclopenten-1-yl)-2,4-dioxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten (PubChem CID 134884946) has the molecular formula C18H16O8W
and a molecular weight of 544.16 g/mol. Its IUPAC name is carbon monoxide;[[7-(cyclopenten-1-yl)-2,4-dioxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten.
Molecular Properties
| Compound Name | carbon monoxide;[[7-(cyclopenten-1-yl)-2,4-dioxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten |
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| PubChem CID | 134884946 |
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| Molecular Formula | C18H16O8W |
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| Molecular Weight | 544.16 g/mol |
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| Exact Mass | 544.04 |
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| IUPAC Name | carbon monoxide;[[7-(cyclopenten-1-yl)-2,4-dioxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten |
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| SMILES | COC(=[W])C1=C(C2=CCCC2)C2COCOC12.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+] |
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| InChI | InChI=1S/C13H16O3.5CO.W/c1-14-6-10-12(9-4-2-3-5-9)11-7-15-8-16-13(10)11;5*1-2;/h4,11,13H,2-3,5,7-8H2,1H3;;;;;; |
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| InChIKey | QIQHHVLAVWMQCX-UHFFFAOYSA-N |
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| XLogP | 1.53 |
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| TPSA | 127.19 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 3 |
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| Heavy Atoms | 27 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 544.16 |
| LogP ≤ 5 | 1.53 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of carbon monoxide;[[7-(cyclopenten-1-yl)-2,4-dioxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten?
The IUPAC name of carbon monoxide;[[7-(cyclopenten-1-yl)-2,4-dioxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten (CID 134884946) is carbon monoxide;[[7-(cyclopenten-1-yl)-2,4-dioxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten.
What is the SMILES notation for carbon monoxide;[[7-(cyclopenten-1-yl)-2,4-dioxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten?
The canonical SMILES for carbon monoxide;[[7-(cyclopenten-1-yl)-2,4-dioxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten is COC(=[W])C1=C(C2=CCCC2)C2COCOC12.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of carbon monoxide;[[7-(cyclopenten-1-yl)-2,4-dioxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten?
The InChIKey is QIQHHVLAVWMQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3.5CO.W/c1-14-6-10-12(9-4-2-3-5-9)11-7-15-8-16-13(10)11;5*1-2;/h4,11,13H,2-3,5,7-8H2,1H3;;;;;;.
What are the key properties of carbon monoxide;[[7-(cyclopenten-1-yl)-2,4-dioxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten?
carbon monoxide;[[7-(cyclopenten-1-yl)-2,4-dioxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten has a molecular weight of 544.16 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;[[7-(cyclopenten-1-yl)-2,4-dioxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten is sourced from PubChem (CID 134884946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).