TL;DR: 4,5-Dimethyl-3-hydroxy-hept-2-ene (CAS 55956-37-1) is a chemical compound with molecular formula C9H18O and molecular weight 142.13577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,5-dimethylhept-2-en-3-ol
Also Known As: 4,5-dimethyl-3-hydroxy-hept-2-ene, (Z)-4,5-dimethylhept-2-en-3-ol
| Molecular Formula | C9H18O |
| Molecular Weight | 142.13577 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 142.13577 Da |
| Heavy Atoms | 10 |
| Complexity | 116.0 |
| SMILES | CCC(C)C(C)C(=CC)O |
| InChIKey | HYWAFUMZYFOODP-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 4,5-Dimethyl-3-hydroxy-hept-2-ene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 4,5-Dimethyl-3-hydroxy-hept-2-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dimethyl-3-hydroxy-hept-2-ene has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4,5-Dimethyl-3-hydroxy-hept-2-ene is 55956-37-1.
The molecular formula of 4,5-Dimethyl-3-hydroxy-hept-2-ene is C9H18O.
The molecular weight of 4,5-Dimethyl-3-hydroxy-hept-2-ene is 142.13577 g/mol.
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