TL;DR: Oxirane, 2-(chloromethyl)-2-(1-methylethenyl)- (CAS 121505-32-6) is a chemical compound with molecular formula C6H9ClO and molecular weight 132.0342 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(chloromethyl)-2-prop-1-en-2-yloxirane
Also Known As: 2-(Chloromethyl)-2-isopropenyloxirane, 2-(Chloromethyl)-2-isopropenyloxirane #, (r,s)-2-chloromethyl-2-isopropenyl-oxirane, 2-(chloromethyl)-2-prop-1-en-2-yloxirane, 2-(Chloromethyl)-2-(1-methylethenyl)oxirane
| Molecular Formula | C6H9ClO |
| Molecular Weight | 132.0342 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 132.0342 Da |
| Heavy Atoms | 8 |
| Complexity | 122.0 |
| SMILES | CC(=C)C1(CO1)CCl |
| InChIKey | NQTKBQXFYLCEGH-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxirane, 2-(chloromethyl)-2-(1-methylethenyl)-. With a topological polar surface area (TPSA) of 12.5 Ų, Oxirane, 2-(chloromethyl)-2-(1-methylethenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Oxirane, 2-(chloromethyl)-2-(1-methylethenyl)- 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 Oxirane, 2-(chloromethyl)-2-(1-methylethenyl)- is 121505-32-6.
The molecular formula of Oxirane, 2-(chloromethyl)-2-(1-methylethenyl)- is C6H9ClO.
The molecular weight of Oxirane, 2-(chloromethyl)-2-(1-methylethenyl)- is 132.0342 g/mol.
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