TL;DR: Oxirane, 2-methyl-, polymer with oxirane, monobutyl ether, compd. with iodine (CAS 132486-02-3) is a chemical compound with molecular formula C9H20I2O3 and molecular weight 429.9502 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butan-1-ol;2-methyloxirane;molecular iodine;oxirane
Also Known As: Caswell No. 123, CaswellNo.123, EPA Pesticide Chemical Code 046901, Butoxypolypropoxypolyethoxyethanol-iodine complex, Oxirane, methyl-, polymer with oxirane, monobutyl ether, compd. with iodine
| Molecular Formula | C9H20I2O3 |
| Molecular Weight | 429.9502 g/mol |
| XLogP | 2.97 |
| Topological Polar Surface Area (TPSA) | 45.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 429.9502 Da |
| Heavy Atoms | 14 |
| Complexity | 49.0 |
| SMILES | CCCCO.CC1CO1.C1CO1.II |
| InChIKey | YWMXCMOIZAGZSV-UHFFFAOYSA-N |
The XLogP value of 2.97 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxirane, 2-methyl-, polymer with oxirane, monobutyl ether, compd. with iodine. With a topological polar surface area (TPSA) of 45.3 Ų, Oxirane, 2-methyl-, polymer with oxirane, monobutyl ether, compd. with iodine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Oxirane, 2-methyl-, polymer with oxirane, monobutyl ether, compd. with iodine 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 Oxirane, 2-methyl-, polymer with oxirane, monobutyl ether, compd. with iodine is 132486-02-3.
The molecular formula of Oxirane, 2-methyl-, polymer with oxirane, monobutyl ether, compd. with iodine is C9H20I2O3.
The molecular weight of Oxirane, 2-methyl-, polymer with oxirane, monobutyl ether, compd. with iodine is 429.9502 g/mol.
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