TL;DR: 6-Octenoic acid, 3-hydroxy-7-methyl-, methyl ester (CAS 143900-66-7) is a chemical compound with molecular formula C10H18O3 and molecular weight 186.1256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-hydroxy-7-methyloct-6-enoate
Also Known As: methyl 3-hydroxy-7-methyloct-6-enoate, 6-Octenoic acid, 3-hydroxy-7-methyl-, methyl ester, methyl 3-hydroxy-7-methyl-6-octenoate, Methyl 3-hydroxy-7-methyl-oct-6-enoate
| Molecular Formula | C10H18O3 |
| Molecular Weight | 186.1256 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 186.1256 Da |
| Heavy Atoms | 13 |
| Complexity | 181.0 |
| SMILES | CC(=CCCC(CC(=O)OC)O)C |
| InChIKey | ZZZIRALWFXCROK-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Octenoic acid, 3-hydroxy-7-methyl-, methyl ester. With a topological polar surface area (TPSA) of 46.5 Ų, 6-Octenoic acid, 3-hydroxy-7-methyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Octenoic acid, 3-hydroxy-7-methyl-, methyl ester has 1 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 6-Octenoic acid, 3-hydroxy-7-methyl-, methyl ester is 143900-66-7.
The molecular formula of 6-Octenoic acid, 3-hydroxy-7-methyl-, methyl ester is C10H18O3.
The molecular weight of 6-Octenoic acid, 3-hydroxy-7-methyl-, methyl ester is 186.1256 g/mol.
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