About 2-(cyclobutylmethyl)furan
2-(cyclobutylmethyl)furan (PubChem CID 139469251) has the molecular formula C9H12O
and a molecular weight of 136.19 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)furan.
Molecular Properties
| Compound Name | 2-(cyclobutylmethyl)furan |
| PubChem CID | 139469251 |
| Molecular Formula | C9H12O |
| Molecular Weight | 136.19 g/mol |
| Exact Mass | 136.09 |
| IUPAC Name | 2-(cyclobutylmethyl)furan |
| SMILES | c1coc(CC2CCC2)c1 |
| InChI | InChI=1S/C9H12O/c1-3-8(4-1)7-9-5-2-6-10-9/h2,5-6,8H,1,3-4,7H2 |
| InChIKey | OEOOVFVCLDRADX-UHFFFAOYSA-N |
| XLogP | 2.62 |
| TPSA | 13.14 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 10 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 136.19 |
| LogP ≤ 5 | 2.62 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 2-(cyclobutylmethyl)furan?
The IUPAC name of 2-(cyclobutylmethyl)furan (CID 139469251) is 2-(cyclobutylmethyl)furan.
What is the SMILES notation for 2-(cyclobutylmethyl)furan?
The canonical SMILES for 2-(cyclobutylmethyl)furan is c1coc(CC2CCC2)c1.
What is the InChIKey of 2-(cyclobutylmethyl)furan?
The InChIKey is OEOOVFVCLDRADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-3-8(4-1)7-9-5-2-6-10-9/h2,5-6,8H,1,3-4,7H2.
What are the key properties of 2-(cyclobutylmethyl)furan?
2-(cyclobutylmethyl)furan has a molecular weight of 136.19 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)furan is sourced from PubChem (CID 139469251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).