1,5-Dioxepan-2-one
TL;DR: 1,5-Dioxepan-2-one (CAS 121425-66-9) is a chemical compound with molecular formula C5H8O3 and molecular weight 116.04734 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4-dioxepan-5-one
Also Known As: 1,5-Dioxepan-2-one, 1,4-dioxepan-5-one, 1,5-Dxo, 1,4-Dioxepan-2-one, 1,4-Dioxepan-7-one
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H8O3 |
| Molecular Weight | 116.04734 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 116.04734 Da |
| Heavy Atoms | 8 |
| Complexity | 89.0 |
| SMILES | C1COCCOC1=O |
| InChIKey | AOLNDUQWRUPYGE-UHFFFAOYSA-N |
Chemical Property Profile of 1,5-Dioxepan-2-one
Property Insights of 1,5-Dioxepan-2-one
The XLogP value of -0.3 indicates that 1,5-Dioxepan-2-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 35.5 Ų, 1,5-Dioxepan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-Dioxepan-2-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,5-Dioxepan-2-one?
The CAS number of 1,5-Dioxepan-2-one is 121425-66-9.
What is the molecular formula of 1,5-Dioxepan-2-one?
The molecular formula of 1,5-Dioxepan-2-one is C5H8O3.
What is the molecular weight of 1,5-Dioxepan-2-one?
The molecular weight of 1,5-Dioxepan-2-one is 116.04734 g/mol.
Where can I buy 1,5-Dioxepan-2-one?
You can request a quote for 1,5-Dioxepan-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,5-Dioxepan-2-one?
Yes, CoreyChem provides custom synthesis services for 1,5-Dioxepan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.