1,1-Diethoxyoct-2-yne
TL;DR: 1,1-Diethoxyoct-2-yne (CAS 16387-55-6) 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.
1,1-diethoxyoct-2-yne
Also Known As: 1,1-Diethoxyoct-2-yne, 1,1-Diethoxy-2-octyne, 2-Octynal diethyl acetal, 2-Octyne, 1,1-diethoxy-, Oct-2-inal-diaethylacetal
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H22O2 |
| Molecular Weight | 198.16199 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 198.16199 Da |
| Heavy Atoms | 14 |
| Complexity | 169.0 |
| SMILES | CCCCCC#CC(OCC)OCC |
| InChIKey | YKXAYRBNHIHDSI-UHFFFAOYSA-N |
Chemical Property Profile of 1,1-Diethoxyoct-2-yne
Property Insights of 1,1-Diethoxyoct-2-yne
The XLogP value of 3.5 indicates that 1,1-Diethoxyoct-2-yne is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 1,1-Diethoxyoct-2-yne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Diethoxyoct-2-yne 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 1,1-Diethoxyoct-2-yne?
The CAS number of 1,1-Diethoxyoct-2-yne is 16387-55-6.
What is the molecular formula of 1,1-Diethoxyoct-2-yne?
The molecular formula of 1,1-Diethoxyoct-2-yne is C12H22O2.
What is the molecular weight of 1,1-Diethoxyoct-2-yne?
The molecular weight of 1,1-Diethoxyoct-2-yne is 198.16199 g/mol.
Where can I buy 1,1-Diethoxyoct-2-yne?
You can request a quote for 1,1-Diethoxyoct-2-yne directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,1-Diethoxyoct-2-yne?
Yes, CoreyChem provides custom synthesis services for 1,1-Diethoxyoct-2-yne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.