![[(3S)-3,7-dimethyloct-6-en-1-yn-3-yl] acetate structure](/static/products/137/1378870-81-5.webp)
[(3S)-3,7-dimethyloct-6-en-1-yn-3-yl] acetate
TL;DR: [(3S)-3,7-dimethyloct-6-en-1-yn-3-yl] acetate (CAS 1378870-81-5) is a chemical compound with molecular formula C12H18O2 and molecular weight 194.13068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3S)-3,7-dimethyloct-6-en-1-yn-3-yl] acetate
Also Known As: Dehydrolinalyl acetate, (S)-3,7-dimethyloct-6-en-1-yn-3-yl acetate, [(3S)-3,7-dimethyloct-6-en-1-yn-3-yl] acetate
Technical Specifications
| Molecular Formula | C12H18O2 |
| Molecular Weight | 194.13068 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 194.13068 Da |
| Heavy Atoms | 14 |
| Complexity | 276.0 |
| SMILES | CC(=CCC[C@@](C)(C#C)OC(=O)C)C |
| InChIKey | JNVHVDDAOGRVDT-GFCCVEGCSA-N |
Chemical Property Profile of [(3S)-3,7-dimethyloct-6-en-1-yn-3-yl] acetate
Property Insights of [(3S)-3,7-dimethyloct-6-en-1-yn-3-yl] acetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(3S)-3,7-dimethyloct-6-en-1-yn-3-yl] acetate. With a topological polar surface area (TPSA) of 26.3 Ų, [(3S)-3,7-dimethyloct-6-en-1-yn-3-yl] acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(3S)-3,7-dimethyloct-6-en-1-yn-3-yl] acetate 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 [(3S)-3,7-dimethyloct-6-en-1-yn-3-yl] acetate?
The CAS number of [(3S)-3,7-dimethyloct-6-en-1-yn-3-yl] acetate is 1378870-81-5.
What is the molecular formula of [(3S)-3,7-dimethyloct-6-en-1-yn-3-yl] acetate?
The molecular formula of [(3S)-3,7-dimethyloct-6-en-1-yn-3-yl] acetate is C12H18O2.
What is the molecular weight of [(3S)-3,7-dimethyloct-6-en-1-yn-3-yl] acetate?
The molecular weight of [(3S)-3,7-dimethyloct-6-en-1-yn-3-yl] acetate is 194.13068 g/mol.
Where can I buy [(3S)-3,7-dimethyloct-6-en-1-yn-3-yl] acetate?
You can request a quote for [(3S)-3,7-dimethyloct-6-en-1-yn-3-yl] acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for [(3S)-3,7-dimethyloct-6-en-1-yn-3-yl] acetate?
Yes, CoreyChem provides custom synthesis services for [(3S)-3,7-dimethyloct-6-en-1-yn-3-yl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.