TL;DR: (5E)-7-Hydroperoxy-7-methyl-3-methylideneocta-1,5-diene (CAS 109789-13-1) is a chemical compound with molecular formula C10H16O2 and molecular weight 168.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5E)-7-hydroperoxy-7-methyl-3-methylideneocta-1,5-diene
Also Known As: (5E)-7-Hydroperoxy-7-methyl-3-methylideneocta-1,5-diene, 2-methyl-6-methylideneocta-3,7-diene-2-peroxol, 1,1-Dimethyl-5-methylene-2,6-heptadienyl hydroperoxide, 2-Methyl-6-methylene-3,7-octadiene-2-yl hydroperoxide, Hydroperoxide, 1,1-dimethyl-5-methylene-2,6-heptadienyl, (E)-
| Molecular Formula | C10H16O2 |
| Molecular Weight | 168.11504 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 168.11504 Da |
| Heavy Atoms | 12 |
| Complexity | 190.0 |
| SMILES | CC(C)(/C=C/CC(=C)C=C)OO |
| InChIKey | FUIFIERPDQXBRC-SOFGYWHQSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-7-Hydroperoxy-7-methyl-3-methylideneocta-1,5-diene. With a topological polar surface area (TPSA) of 29.5 Ų, (5E)-7-Hydroperoxy-7-methyl-3-methylideneocta-1,5-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5E)-7-Hydroperoxy-7-methyl-3-methylideneocta-1,5-diene has 1 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 (5E)-7-Hydroperoxy-7-methyl-3-methylideneocta-1,5-diene is 109789-13-1.
The molecular formula of (5E)-7-Hydroperoxy-7-methyl-3-methylideneocta-1,5-diene is C10H16O2.
The molecular weight of (5E)-7-Hydroperoxy-7-methyl-3-methylideneocta-1,5-diene is 168.11504 g/mol.
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