TL;DR: (4-Ethyl-6,8-dimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methyl acetate (CAS 1217609-34-1) is a chemical compound with molecular formula C15H24O3 and molecular weight 252.17255 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-ethyl-6,8-dimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methyl acetate
Also Known As: (4-ethyl-6,8-dimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methyl acetate, 3-Oxabicyclo[3.3.1]non-6-ene-1-methanol, 4-ethyl-6,8-dimethyl-, 1-acetate, (8-ethyl-2,4-dimethyl-7-oxabicyclo[3.3.1]non-2-en-5-yl)methyl acetate
| Molecular Formula | C15H24O3 |
| Molecular Weight | 252.17255 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.17255 Da |
| Heavy Atoms | 18 |
| Complexity | 361.0 |
| SMILES | CCC1C2CC(CO1)(C(C=C2C)C)COC(=O)C |
| InChIKey | BPXWTOJCYFGBKR-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Ethyl-6,8-dimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methyl acetate. With a topological polar surface area (TPSA) of 35.5 Ų, (4-Ethyl-6,8-dimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Ethyl-6,8-dimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methyl acetate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (4-Ethyl-6,8-dimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methyl acetate is 1217609-34-1.
The molecular formula of (4-Ethyl-6,8-dimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methyl acetate is C15H24O3.
The molecular weight of (4-Ethyl-6,8-dimethyl-3-oxabicyclo[3.3.1]non-6-en-1-yl)methyl acetate is 252.17255 g/mol.
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