About 5-[(E)-2-(2-methylphenyl)ethenyl]oxolan-2-one
5-[(E)-2-(2-methylphenyl)ethenyl]oxolan-2-one (PubChem CID 102276987) has the molecular formula C13H14O2
and a molecular weight of 202.25 g/mol. Its IUPAC name is 5-[(E)-2-(2-methylphenyl)ethenyl]oxolan-2-one.
Molecular Properties
| Compound Name | 5-[(E)-2-(2-methylphenyl)ethenyl]oxolan-2-one |
|---|
| PubChem CID | 102276987 |
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| Molecular Formula | C13H14O2 |
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| Molecular Weight | 202.25 g/mol |
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| Exact Mass | 202.10 |
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| IUPAC Name | 5-[(E)-2-(2-methylphenyl)ethenyl]oxolan-2-one |
|---|
| SMILES | Cc1ccccc1/C=C/C1CCC(=O)O1 |
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| InChI | InChI=1S/C13H14O2/c1-10-4-2-3-5-11(10)6-7-12-8-9-13(14)15-12/h2-7,12H,8-9H2,1H3/b7-6+ |
|---|
| InChIKey | BWKYNIBVLJZCNZ-VOTSOKGWSA-N |
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| XLogP | 2.71 |
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| TPSA | 26.30 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 15 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 202.25 |
| LogP ≤ 5 | 2.71 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 5-[(E)-2-(2-methylphenyl)ethenyl]oxolan-2-one?
The IUPAC name of 5-[(E)-2-(2-methylphenyl)ethenyl]oxolan-2-one (CID 102276987) is 5-[(E)-2-(2-methylphenyl)ethenyl]oxolan-2-one.
What is the SMILES notation for 5-[(E)-2-(2-methylphenyl)ethenyl]oxolan-2-one?
The canonical SMILES for 5-[(E)-2-(2-methylphenyl)ethenyl]oxolan-2-one is Cc1ccccc1/C=C/C1CCC(=O)O1.
What is the InChIKey of 5-[(E)-2-(2-methylphenyl)ethenyl]oxolan-2-one?
The InChIKey is BWKYNIBVLJZCNZ-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H14O2/c1-10-4-2-3-5-11(10)6-7-12-8-9-13(14)15-12/h2-7,12H,8-9H2,1H3/b7-6+.
What are the key properties of 5-[(E)-2-(2-methylphenyl)ethenyl]oxolan-2-one?
5-[(E)-2-(2-methylphenyl)ethenyl]oxolan-2-one has a molecular weight of 202.25 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(2-methylphenyl)ethenyl]oxolan-2-one is sourced from PubChem (CID 102276987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).