TL;DR: Vinyl hexa-1,2-dien-3-yl ether (CAS 126126-48-5) is a chemical compound with molecular formula C8H12O and molecular weight 124.08881 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-ethenoxyhexa-1,2-diene
Also Known As: Vinyl hexa-1,2-dien-3-yl ether, 3-ethenoxyhexa-1,2-diene
| Molecular Formula | C8H12O |
| Molecular Weight | 124.08881 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 124.08881 Da |
| Heavy Atoms | 9 |
| Complexity | 130.0 |
| SMILES | CCCC(=C=C)OC=C |
| InChIKey | POPIAOPHKATNAU-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vinyl hexa-1,2-dien-3-yl ether. With a topological polar surface area (TPSA) of 9.2 Ų, Vinyl hexa-1,2-dien-3-yl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Vinyl hexa-1,2-dien-3-yl ether 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 Vinyl hexa-1,2-dien-3-yl ether is 126126-48-5.
The molecular formula of Vinyl hexa-1,2-dien-3-yl ether is C8H12O.
The molecular weight of Vinyl hexa-1,2-dien-3-yl ether is 124.08881 g/mol.
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