About methoxymethoxymethylcyclopentane
methoxymethoxymethylcyclopentane (PubChem CID 68663777) has the molecular formula C8H16O2
and a molecular weight of 144.21 g/mol. Its IUPAC name is methoxymethoxymethylcyclopentane.
Molecular Properties
| Compound Name | methoxymethoxymethylcyclopentane |
|---|
| PubChem CID | 68663777 |
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| Molecular Formula | C8H16O2 |
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| Molecular Weight | 144.21 g/mol |
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| Exact Mass | 144.12 |
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| IUPAC Name | methoxymethoxymethylcyclopentane |
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| SMILES | COCOCC1CCCC1 |
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| InChI | InChI=1S/C8H16O2/c1-9-7-10-6-8-4-2-3-5-8/h8H,2-7H2,1H3 |
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| InChIKey | XJQSTUPWISGTTB-UHFFFAOYSA-N |
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| XLogP | 1.80 |
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| TPSA | 18.46 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 10 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 144.21 |
| LogP ≤ 5 | 1.80 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of methoxymethoxymethylcyclopentane?
The IUPAC name of methoxymethoxymethylcyclopentane (CID 68663777) is methoxymethoxymethylcyclopentane.
What is the SMILES notation for methoxymethoxymethylcyclopentane?
The canonical SMILES for methoxymethoxymethylcyclopentane is COCOCC1CCCC1.
What is the InChIKey of methoxymethoxymethylcyclopentane?
The InChIKey is XJQSTUPWISGTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-9-7-10-6-8-4-2-3-5-8/h8H,2-7H2,1H3.
What are the key properties of methoxymethoxymethylcyclopentane?
methoxymethoxymethylcyclopentane has a molecular weight of 144.21 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethoxymethylcyclopentane is sourced from PubChem (CID 68663777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).