TL;DR: 1-Octene, 7-ethoxy-3,7-dimethyl- (CAS 112576-45-1) is a chemical compound with molecular formula C12H24O and molecular weight 184.18271 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-ethoxy-3,7-dimethyloct-1-ene
Also Known As: 7-ethoxy-3,7-dimethyloct-1-ene, 1-Octene, 7-ethoxy-3,7-dimethyl-, 7-Ethoxy-3,7-dimethyl-1-octene, 1-Octene,7-ethoxy-3,7-dimethyl, 3,7-Dimethyl-7-ethoxy-1-octene
| Molecular Formula | C12H24O |
| Molecular Weight | 184.18271 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 184.18271 Da |
| Heavy Atoms | 13 |
| Complexity | 138.0 |
| SMILES | CCOC(C)(C)CCCC(C)C=C |
| InChIKey | PRGBEYMGFSMWPN-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 1-Octene, 7-ethoxy-3,7-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 1-Octene, 7-ethoxy-3,7-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Octene, 7-ethoxy-3,7-dimethyl- has 0 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 1-Octene, 7-ethoxy-3,7-dimethyl- is 112576-45-1.
The molecular formula of 1-Octene, 7-ethoxy-3,7-dimethyl- is C12H24O.
The molecular weight of 1-Octene, 7-ethoxy-3,7-dimethyl- is 184.18271 g/mol.
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