TL;DR: 2,2-Diisopropyl-1,3-dioxolane (CAS 4421-10-7) is a chemical compound with molecular formula C9H18O2 and molecular weight 158.13068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-di(propan-2-yl)-1,3-dioxolane
Also Known As: 2,2-Diisopropyl-1,3-dioxolane, Diisopropyldioxolan, 2,2-di(propan-2-yl)-1,3-dioxolane, 1-testosterone Ethyl carbonate, 2,2-bis(propan-2-yl)-1,3-dioxolane
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C9H18O2 |
| Molecular Weight | 158.13068 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 158.13068 Da |
| Heavy Atoms | 11 |
| Complexity | 114.0 |
| SMILES | CC(C)C1(OCCO1)C(C)C |
| InChIKey | BIYJJEWTEPSHGZ-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Diisopropyl-1,3-dioxolane. With a topological polar surface area (TPSA) of 18.5 Ų, 2,2-Diisopropyl-1,3-dioxolane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Diisopropyl-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 2,2-Diisopropyl-1,3-dioxolane is 4421-10-7.
The molecular formula of 2,2-Diisopropyl-1,3-dioxolane is C9H18O2.
The molecular weight of 2,2-Diisopropyl-1,3-dioxolane is 158.13068 g/mol.
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