TL;DR: 1-Oxaspiro[3.5]nona-5,8-dien-7-one, 3-methylene- (CAS 115077-69-5) is a chemical compound with molecular formula C9H8O2 and molecular weight 148.05243 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methylidene-1-oxaspiro[3.5]nona-5,8-dien-7-one
Also Known As: 3-Methylene-1-oxaspiro[3.5]nona-5,8-dien-7-one, 1-methylidene-3-oxaspiro[3.5]nona-5,8-dien-7-one, 1-Oxaspiro[3.5]nona-5,8-dien-7-one, 3-methylene-, 3-Methylene-1-oxaspiro[3.5]nona-5,8-dien-7-one #
| Molecular Formula | C9H8O2 |
| Molecular Weight | 148.05243 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 148.05243 Da |
| Heavy Atoms | 11 |
| Complexity | 268.0 |
| SMILES | C=C1COC12C=CC(=O)C=C2 |
| InChIKey | ZRURBDPGIJGDPZ-UHFFFAOYSA-N |
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Oxaspiro[3.5]nona-5,8-dien-7-one, 3-methylene-. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Oxaspiro[3.5]nona-5,8-dien-7-one, 3-methylene- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Oxaspiro[3.5]nona-5,8-dien-7-one, 3-methylene- 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 1-Oxaspiro[3.5]nona-5,8-dien-7-one, 3-methylene- is 115077-69-5.
The molecular formula of 1-Oxaspiro[3.5]nona-5,8-dien-7-one, 3-methylene- is C9H8O2.
The molecular weight of 1-Oxaspiro[3.5]nona-5,8-dien-7-one, 3-methylene- is 148.05243 g/mol.
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