3,8-Dioxatricyclo(5.1.0.0~2,4~)oct-5-ene
TL;DR: 3,8-Dioxatricyclo(5.1.0.0~2,4~)oct-5-ene (CAS 51186-86-8) is a chemical compound with molecular formula C6H6O2 and molecular weight 110.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene
Also Known As: syn-Benzene dioxide, benzene dioxide, 3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene, 3,8-Dioxatricyclo(5.1.0.0~2,4~)oct-5-ene, 3,8-Dioxatricyclo[5.1.0.0~2,4~]oct-5-ene
| Molecular Formula | C6H6O2 |
|---|---|
| Molecular Weight | 110.04 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 25.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 110.03678 |
| Heavy Atoms | 8 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 51186-86-8 |
|---|---|
| SMILES | C1=CC2C(O2)C3C1O3 |
| InChIKey | LWOLJZRFQMSDAZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,8-Dioxatricyclo(5.1.0.0~2,4~)oct-5-ene (CAS 51186-86-8), with molecular formula C6H6O2 and molecular weight 110.04 g/mol. IUPAC: 3,8-dioxatricyclo[5.1.0.02,4]oct-5-ene.
Chemical Property Profile of 3,8-Dioxatricyclo(5.1.0.0~2,4~)oct-5-ene
Property Insights of 3,8-Dioxatricyclo(5.1.0.0~2,4~)oct-5-ene
The XLogP value of -0.1 indicates that 3,8-Dioxatricyclo(5.1.0.0~2,4~)oct-5-ene is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 25.1 Ų, 3,8-Dioxatricyclo(5.1.0.0~2,4~)oct-5-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,8-Dioxatricyclo(5.1.0.0~2,4~)oct-5-ene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,8-Dioxatricyclo(5.1.0.0~2,4~)oct-5-ene?
The CAS number of 3,8-Dioxatricyclo(5.1.0.0~2,4~)oct-5-ene is 51186-86-8.
What is the molecular formula of 3,8-Dioxatricyclo(5.1.0.0~2,4~)oct-5-ene?
The molecular formula of 3,8-Dioxatricyclo(5.1.0.0~2,4~)oct-5-ene is C6H6O2.
What is the molecular weight of 3,8-Dioxatricyclo(5.1.0.0~2,4~)oct-5-ene?
The molecular weight of 3,8-Dioxatricyclo(5.1.0.0~2,4~)oct-5-ene is 110.04 g/mol.
Where can I buy 3,8-Dioxatricyclo(5.1.0.0~2,4~)oct-5-ene?
You can request a quote for 3,8-Dioxatricyclo(5.1.0.0~2,4~)oct-5-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,8-Dioxatricyclo(5.1.0.0~2,4~)oct-5-ene?
Yes, KEHONG BIO provides custom synthesis services for 3,8-Dioxatricyclo(5.1.0.0~2,4~)oct-5-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.