2-Methoxyoctahydro-1,4-benzodioxine
TL;DR: 2-Methoxyoctahydro-1,4-benzodioxine (CAS 1005240-13-0) is a chemical compound with molecular formula C9H16O3 and molecular weight 172.10994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methoxy-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxine
Also Known As: 2-Methoxyoctahydro-1,4-benzodioxine #, 1,4-Benzodioxin, octahydro-2-methoxy-, 3-methoxy-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxine, 3.beta.-Methoxy-2,5-dioxa-1.beta.,6.alpha.-bicyclo[4.4.0]decane, 3.alpha.-Methoxy-2,5-dioxa-1.beta.,6.alpha.-bicyclo[4.4.0]decane
Technical Specifications
| Molecular Formula | C9H16O3 |
| Molecular Weight | 172.10994 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.10994 Da |
| Heavy Atoms | 12 |
| Complexity | 149.0 |
| SMILES | COC1COC2CCCCC2O1 |
| InChIKey | YVBLXZWDUXWLDG-UHFFFAOYSA-N |
Chemical Property Profile of 2-Methoxyoctahydro-1,4-benzodioxine
Property Insights of 2-Methoxyoctahydro-1,4-benzodioxine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxyoctahydro-1,4-benzodioxine. With a topological polar surface area (TPSA) of 27.7 Ų, 2-Methoxyoctahydro-1,4-benzodioxine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methoxyoctahydro-1,4-benzodioxine 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 2-Methoxyoctahydro-1,4-benzodioxine?
The CAS number of 2-Methoxyoctahydro-1,4-benzodioxine is 1005240-13-0.
What is the molecular formula of 2-Methoxyoctahydro-1,4-benzodioxine?
The molecular formula of 2-Methoxyoctahydro-1,4-benzodioxine is C9H16O3.
What is the molecular weight of 2-Methoxyoctahydro-1,4-benzodioxine?
The molecular weight of 2-Methoxyoctahydro-1,4-benzodioxine is 172.10994 g/mol.
Where can I buy 2-Methoxyoctahydro-1,4-benzodioxine?
You can request a quote for 2-Methoxyoctahydro-1,4-benzodioxine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methoxyoctahydro-1,4-benzodioxine?
Yes, CoreyChem provides custom synthesis services for 2-Methoxyoctahydro-1,4-benzodioxine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.