hexahydro-2,4,4,7-tetramethyl-4H-1,3-benzodioxin
TL;DR: hexahydro-2,4,4,7-tetramethyl-4H-1,3-benzodioxin (CAS 13162-41-9) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16199 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4,4,7-tetramethyl-4a,5,6,7,8,8a-hexahydrobenzo[d][1,3]dioxine
Also Known As: Hexahydro-2,4,4,7-tetramethyl-4H-1,3-benzodioxin, 2,4,4,7-tetramethyl-4a,5,6,7,8,8a-hexahydrobenzo[d][1,3]dioxine, 2,4,4,7-tetramethylhexahydro-4h-1,3-benzodioxine, 2,4,4,7-tetramethyl-octahydro-1,3-benzodioxine, 4H-1,3-Benzodioxin,hexahydro-2,4,4,7-tetramethyl
Technical Specifications
| Molecular Formula | C12H22O2 |
| Molecular Weight | 198.16199 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.16199 Da |
| Heavy Atoms | 14 |
| Complexity | 212.0 |
| SMILES | CC1CCC2C(C1)OC(OC2(C)C)C |
| InChIKey | IUAVIWFKLFEYLT-UHFFFAOYSA-N |
Chemical Property Profile of hexahydro-2,4,4,7-tetramethyl-4H-1,3-benzodioxin
Property Insights of hexahydro-2,4,4,7-tetramethyl-4H-1,3-benzodioxin
The XLogP value of 3.0 indicates that hexahydro-2,4,4,7-tetramethyl-4H-1,3-benzodioxin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, hexahydro-2,4,4,7-tetramethyl-4H-1,3-benzodioxin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, hexahydro-2,4,4,7-tetramethyl-4H-1,3-benzodioxin 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
What is the CAS number of hexahydro-2,4,4,7-tetramethyl-4H-1,3-benzodioxin?
The CAS number of hexahydro-2,4,4,7-tetramethyl-4H-1,3-benzodioxin is 13162-41-9.
What is the molecular formula of hexahydro-2,4,4,7-tetramethyl-4H-1,3-benzodioxin?
The molecular formula of hexahydro-2,4,4,7-tetramethyl-4H-1,3-benzodioxin is C12H22O2.
What is the molecular weight of hexahydro-2,4,4,7-tetramethyl-4H-1,3-benzodioxin?
The molecular weight of hexahydro-2,4,4,7-tetramethyl-4H-1,3-benzodioxin is 198.16199 g/mol.
Where can I buy hexahydro-2,4,4,7-tetramethyl-4H-1,3-benzodioxin?
You can request a quote for hexahydro-2,4,4,7-tetramethyl-4H-1,3-benzodioxin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for hexahydro-2,4,4,7-tetramethyl-4H-1,3-benzodioxin?
Yes, CoreyChem provides custom synthesis services for hexahydro-2,4,4,7-tetramethyl-4H-1,3-benzodioxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.