1-Bromo-6-methoxy-6,8-dimethylnon-4-yne
TL;DR: 1-Bromo-6-methoxy-6,8-dimethylnon-4-yne (CAS 161834-58-8) is a chemical compound with molecular formula C12H21BrO and molecular weight 260.07758 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-bromo-6-methoxy-6,8-dimethylnon-4-yne
Also Known As: 1-Bromo-6-methoxy-6,8-dimethyl-4-nonyne, 1-bromo-6-methoxy-6,8-dimethyl-non-4-yne
Technical Specifications
| Molecular Formula | C12H21BrO |
| Molecular Weight | 260.07758 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 260.07758 Da |
| Heavy Atoms | 14 |
| Complexity | 211.0 |
| SMILES | CC(C)CC(C)(C#CCCCBr)OC |
| InChIKey | YNFARYVMXYJXTD-UHFFFAOYSA-N |
Chemical Property Profile of 1-Bromo-6-methoxy-6,8-dimethylnon-4-yne
Property Insights of 1-Bromo-6-methoxy-6,8-dimethylnon-4-yne
The XLogP value of 3.6 indicates that 1-Bromo-6-methoxy-6,8-dimethylnon-4-yne is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 1-Bromo-6-methoxy-6,8-dimethylnon-4-yne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-6-methoxy-6,8-dimethylnon-4-yne has 0 hydrogen bond donor(s) and 1 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-Bromo-6-methoxy-6,8-dimethylnon-4-yne?
The CAS number of 1-Bromo-6-methoxy-6,8-dimethylnon-4-yne is 161834-58-8.
What is the molecular formula of 1-Bromo-6-methoxy-6,8-dimethylnon-4-yne?
The molecular formula of 1-Bromo-6-methoxy-6,8-dimethylnon-4-yne is C12H21BrO.
What is the molecular weight of 1-Bromo-6-methoxy-6,8-dimethylnon-4-yne?
The molecular weight of 1-Bromo-6-methoxy-6,8-dimethylnon-4-yne is 260.07758 g/mol.
Where can I buy 1-Bromo-6-methoxy-6,8-dimethylnon-4-yne?
You can request a quote for 1-Bromo-6-methoxy-6,8-dimethylnon-4-yne directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Bromo-6-methoxy-6,8-dimethylnon-4-yne?
Yes, CoreyChem provides custom synthesis services for 1-Bromo-6-methoxy-6,8-dimethylnon-4-yne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.