About 2-(3-pentoxypropyl)oxirane
2-(3-pentoxypropyl)oxirane (PubChem CID 22934439) has the molecular formula C10H20O2
and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-(3-pentoxypropyl)oxirane.
Molecular Properties
| Compound Name | 2-(3-pentoxypropyl)oxirane |
|---|
| PubChem CID | 22934439 |
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| Molecular Formula | C10H20O2 |
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| Molecular Weight | 172.27 g/mol |
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| Exact Mass | 172.15 |
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| IUPAC Name | 2-(3-pentoxypropyl)oxirane |
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| SMILES | CCCCCOCCCC1CO1 |
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| InChI | InChI=1S/C10H20O2/c1-2-3-4-7-11-8-5-6-10-9-12-10/h10H,2-9H2,1H3 |
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| InChIKey | VRHPXTQBQCDVFD-UHFFFAOYSA-N |
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| XLogP | 2.37 |
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| TPSA | 21.76 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 12 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 172.27 |
| LogP ≤ 5 | 2.37 |
| 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': 'Three-membered_heterocycle', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-(3-pentoxypropyl)oxirane?
The IUPAC name of 2-(3-pentoxypropyl)oxirane (CID 22934439) is 2-(3-pentoxypropyl)oxirane.
What is the SMILES notation for 2-(3-pentoxypropyl)oxirane?
The canonical SMILES for 2-(3-pentoxypropyl)oxirane is CCCCCOCCCC1CO1.
What is the InChIKey of 2-(3-pentoxypropyl)oxirane?
The InChIKey is VRHPXTQBQCDVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-2-3-4-7-11-8-5-6-10-9-12-10/h10H,2-9H2,1H3.
What are the key properties of 2-(3-pentoxypropyl)oxirane?
2-(3-pentoxypropyl)oxirane has a molecular weight of 172.27 g/mol, XLogP of 2.37, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pentoxypropyl)oxirane is sourced from PubChem (CID 22934439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).