TL;DR: Ethanone, 1-(7-oxabicyclo[4.1.0]hept-1-yl)- (CAS 15121-01-4) is a chemical compound with molecular formula C8H12O2 and molecular weight 140.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(7-oxabicyclo[4.1.0]heptan-1-yl)ethanone
Also Known As: 1-Acetylcyclohexene oxide, Ethanone, 1-(7-oxabicyclo[4.1.0]hept-1-yl)-, 1-acetyl-1-cyclohexene oxide, 1-acetyl-1,2-epoxycyclohexane, 1-(7-oxabicyclo[4.1.0]heptan-1-yl)ethanone
| Molecular Formula | C8H12O2 |
| Molecular Weight | 140.08372 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 29.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.08372 Da |
| Heavy Atoms | 10 |
| Complexity | 176.0 |
| SMILES | CC(=O)C12CCCCC1O2 |
| InChIKey | IYVLEWWTLSXNMH-UHFFFAOYSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 1-(7-oxabicyclo[4.1.0]hept-1-yl)-. With a topological polar surface area (TPSA) of 29.6 Ų, Ethanone, 1-(7-oxabicyclo[4.1.0]hept-1-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 1-(7-oxabicyclo[4.1.0]hept-1-yl)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ethanone, 1-(7-oxabicyclo[4.1.0]hept-1-yl)- is 15121-01-4.
The molecular formula of Ethanone, 1-(7-oxabicyclo[4.1.0]hept-1-yl)- is C8H12O2.
The molecular weight of Ethanone, 1-(7-oxabicyclo[4.1.0]hept-1-yl)- is 140.08372 g/mol.
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