1,3-Benzodioxole, 2-hexyl-2-methyl-
TL;DR: 1,3-Benzodioxole, 2-hexyl-2-methyl- (CAS 68298-48-6) is a chemical compound with molecular formula C14H20O2 and molecular weight 220.14633 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hexyl-2-methyl-1,3-benzodioxole
Also Known As: 2-Hexyl-2-methyl-1,3-benzodioxole, Catechol, methyl hexyl ketal, 1,3-Benzodioxole, 2-hexyl-2-methyl-, 1, 2-hexyl-2-methyl-, NCIOpen2_003392
Technical Specifications
| Molecular Formula | C14H20O2 |
| Molecular Weight | 220.14633 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 220.14633 Da |
| Heavy Atoms | 16 |
| Complexity | 201.0 |
| SMILES | CCCCCCC1(OC2=CC=CC=C2O1)C |
| InChIKey | QFMCXXKXMZKMLW-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Benzodioxole, 2-hexyl-2-methyl-
Property Insights of 1,3-Benzodioxole, 2-hexyl-2-methyl-
The XLogP value of 4.9 indicates that 1,3-Benzodioxole, 2-hexyl-2-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 1,3-Benzodioxole, 2-hexyl-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxole, 2-hexyl-2-methyl- 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 1,3-Benzodioxole, 2-hexyl-2-methyl-?
The CAS number of 1,3-Benzodioxole, 2-hexyl-2-methyl- is 68298-48-6.
What is the molecular formula of 1,3-Benzodioxole, 2-hexyl-2-methyl-?
The molecular formula of 1,3-Benzodioxole, 2-hexyl-2-methyl- is C14H20O2.
What is the molecular weight of 1,3-Benzodioxole, 2-hexyl-2-methyl-?
The molecular weight of 1,3-Benzodioxole, 2-hexyl-2-methyl- is 220.14633 g/mol.
Where can I buy 1,3-Benzodioxole, 2-hexyl-2-methyl-?
You can request a quote for 1,3-Benzodioxole, 2-hexyl-2-methyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Benzodioxole, 2-hexyl-2-methyl-?
Yes, CoreyChem provides custom synthesis services for 1,3-Benzodioxole, 2-hexyl-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.