About (5R)-2,6-dioxabicyclo[3.1.0]hexane
(5R)-2,6-dioxabicyclo[3.1.0]hexane (PubChem CID 174637140) has the molecular formula C4H6O2
and a molecular weight of 86.09 g/mol. Its IUPAC name is (5R)-2,6-dioxabicyclo[3.1.0]hexane.
Molecular Properties
| Compound Name | (5R)-2,6-dioxabicyclo[3.1.0]hexane |
|---|
| PubChem CID | 174637140 |
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| Molecular Formula | C4H6O2 |
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| Molecular Weight | 86.09 g/mol |
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| Exact Mass | 86.04 |
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| IUPAC Name | (5R)-2,6-dioxabicyclo[3.1.0]hexane |
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| SMILES | C1C[C@H]2OC2O1 |
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| InChI | InChI=1S/C4H6O2/c1-2-5-4-3(1)6-4/h3-4H,1-2H2/t3-,4?/m1/s1 |
|---|
| InChIKey | GOKABALRNHVSMJ-SYPWQXSBSA-N |
|---|
| XLogP | 0.13 |
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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 | |
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| Heavy Atoms | 6 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 86.09 |
| LogP ≤ 5 | 0.13 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (5R)-2,6-dioxabicyclo[3.1.0]hexane?
The IUPAC name of (5R)-2,6-dioxabicyclo[3.1.0]hexane (CID 174637140) is (5R)-2,6-dioxabicyclo[3.1.0]hexane.
What is the SMILES notation for (5R)-2,6-dioxabicyclo[3.1.0]hexane?
The canonical SMILES for (5R)-2,6-dioxabicyclo[3.1.0]hexane is C1C[C@H]2OC2O1.
What is the InChIKey of (5R)-2,6-dioxabicyclo[3.1.0]hexane?
The InChIKey is GOKABALRNHVSMJ-SYPWQXSBSA-N. The full InChI is InChI=1S/C4H6O2/c1-2-5-4-3(1)6-4/h3-4H,1-2H2/t3-,4?/m1/s1.
What are the key properties of (5R)-2,6-dioxabicyclo[3.1.0]hexane?
(5R)-2,6-dioxabicyclo[3.1.0]hexane has a molecular weight of 86.09 g/mol, XLogP of 0.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2,6-dioxabicyclo[3.1.0]hexane is sourced from PubChem (CID 174637140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).