TL;DR: Limonene-1,2-epoxide (CAS 114421-39-5) is a chemical compound with molecular formula C10H16O and molecular weight 152.12012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane
Also Known As: Limonene oxide, Limonene-1,2-epoxide, Limonene epoxide, limoxide, (+)-Limonene oxide
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C10H16O |
| Molecular Weight | 152.12012 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 152.12012 Da |
| Heavy Atoms | 11 |
| Complexity | 197.0 |
| SMILES | CC(=C)[C@@H]1CCC2(C(C1)O2)C |
| InChIKey | CCEFMUBVSUDRLG-XNWIYYODSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Limonene-1,2-epoxide. With a topological polar surface area (TPSA) of 12.5 Ų, Limonene-1,2-epoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Limonene-1,2-epoxide 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 Limonene-1,2-epoxide is 114421-39-5.
The molecular formula of Limonene-1,2-epoxide is C10H16O.
The molecular weight of Limonene-1,2-epoxide is 152.12012 g/mol.
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