4-Octyne, 2,2,7,7-tetramethyl
TL;DR: 4-Octyne, 2,2,7,7-tetramethyl (CAS 16344-02-8) is a chemical compound with molecular formula C12H22 and molecular weight 166.17215 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,7,7-tetramethyloct-4-yne
Also Known As: Dineopentylacetylene, 2,2,7,7-Tetramethyl-4-octyne, 4-Octyne, 2,2,7,7-tetramethyl, 2,2,7,7-tetramethyloct-4-yne
Technical Specifications
| Molecular Formula | C12H22 |
| Molecular Weight | 166.17215 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.17215 Da |
| Heavy Atoms | 12 |
| Complexity | 164.0 |
| SMILES | CC(C)(C)CC#CCC(C)(C)C |
| InChIKey | XUMLVUIECTXEPJ-UHFFFAOYSA-N |
Chemical Property Profile of 4-Octyne, 2,2,7,7-tetramethyl
Property Insights of 4-Octyne, 2,2,7,7-tetramethyl
The XLogP value of 4.7 indicates that 4-Octyne, 2,2,7,7-tetramethyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4-Octyne, 2,2,7,7-tetramethyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Octyne, 2,2,7,7-tetramethyl has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Octyne, 2,2,7,7-tetramethyl?
The CAS number of 4-Octyne, 2,2,7,7-tetramethyl is 16344-02-8.
What is the molecular formula of 4-Octyne, 2,2,7,7-tetramethyl?
The molecular formula of 4-Octyne, 2,2,7,7-tetramethyl is C12H22.
What is the molecular weight of 4-Octyne, 2,2,7,7-tetramethyl?
The molecular weight of 4-Octyne, 2,2,7,7-tetramethyl is 166.17215 g/mol.
Where can I buy 4-Octyne, 2,2,7,7-tetramethyl?
You can request a quote for 4-Octyne, 2,2,7,7-tetramethyl directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Octyne, 2,2,7,7-tetramethyl?
Yes, CoreyChem provides custom synthesis services for 4-Octyne, 2,2,7,7-tetramethyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.