About carbanide;cyclopentane;methanone;2-methylpropane;propane;tungsten
carbanide;cyclopentane;methanone;2-methylpropane;propane;tungsten (PubChem CID 162280808) has the molecular formula C16H36O2W-4
and a molecular weight of 444.30 g/mol. Its IUPAC name is carbanide;cyclopentane;methanone;2-methylpropane;propane;tungsten.
Molecular Properties
| Compound Name | carbanide;cyclopentane;methanone;2-methylpropane;propane;tungsten |
|---|
| PubChem CID | 162280808 |
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| Molecular Formula | C16H36O2W-4 |
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| Molecular Weight | 444.30 g/mol |
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| Exact Mass | 444.22 |
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| IUPAC Name | carbanide;cyclopentane;methanone;2-methylpropane;propane;tungsten |
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| SMILES | C1CCCC1.CC(C)C.CCC.[CH-]=O.[CH-]=O.[CH3-].[CH3-].[W] |
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| InChI | InChI=1S/C5H10.C4H10.C3H8.2CHO.2CH3.W/c1-2-4-5-3-1;1-4(2)3;1-3-2;2*1-2;;;/h1-5H2;4H,1-3H3;3H2,1-2H3;2*1H;2*1H3;/q;;;4*-1; |
|---|
| InChIKey | RWFLTNZDTGFSJA-UHFFFAOYSA-N |
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| XLogP | 5.38 |
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| TPSA | 34.14 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
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| Heavy Atoms | 19 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 444.30 |
| LogP ≤ 5 | 5.38 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of carbanide;cyclopentane;methanone;2-methylpropane;propane;tungsten?
The IUPAC name of carbanide;cyclopentane;methanone;2-methylpropane;propane;tungsten (CID 162280808) is carbanide;cyclopentane;methanone;2-methylpropane;propane;tungsten.
What is the SMILES notation for carbanide;cyclopentane;methanone;2-methylpropane;propane;tungsten?
The canonical SMILES for carbanide;cyclopentane;methanone;2-methylpropane;propane;tungsten is C1CCCC1.CC(C)C.CCC.[CH-]=O.[CH-]=O.[CH3-].[CH3-].[W].
What is the InChIKey of carbanide;cyclopentane;methanone;2-methylpropane;propane;tungsten?
The InChIKey is RWFLTNZDTGFSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10.C4H10.C3H8.2CHO.2CH3.W/c1-2-4-5-3-1;1-4(2)3;1-3-2;2*1-2;;;/h1-5H2;4H,1-3H3;3H2,1-2H3;2*1H;2*1H3;/q;;;4*-1;.
What are the key properties of carbanide;cyclopentane;methanone;2-methylpropane;propane;tungsten?
carbanide;cyclopentane;methanone;2-methylpropane;propane;tungsten has a molecular weight of 444.30 g/mol, XLogP of 5.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopentane;methanone;2-methylpropane;propane;tungsten is sourced from PubChem (CID 162280808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).