TL;DR: 4,5-Dimethyl-1,3-dioxolane (CAS 1072-57-7) is a chemical compound with molecular formula C5H10O2 and molecular weight 102.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,5-dimethyl-1,3-dioxolane
Also Known As: 4,5-Dimethyl-1,3-dioxolane, 4,5-dimethyl-1,3-dioxolan, 1,3-dioxolane, 4,5-dimethyl-, 1,3-Dioxolane, 4,5-dimethyl, 1,3Dioxolane, 4,5dimethyl
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C5H10O2 |
| Molecular Weight | 102.06808 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 102.06808 Da |
| Heavy Atoms | 7 |
| Complexity | 55.0 |
| SMILES | CC1C(OCO1)C |
| InChIKey | GGQOXKOHMFKMLR-UHFFFAOYSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dimethyl-1,3-dioxolane. With a topological polar surface area (TPSA) of 18.5 Ų, 4,5-Dimethyl-1,3-dioxolane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dimethyl-1,3-dioxolane has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4,5-Dimethyl-1,3-dioxolane is 1072-57-7.
The molecular formula of 4,5-Dimethyl-1,3-dioxolane is C5H10O2.
The molecular weight of 4,5-Dimethyl-1,3-dioxolane is 102.06808 g/mol.
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