3,7-Dimethyloct-6-en-2-yl acetate
TL;DR: 3,7-Dimethyloct-6-en-2-yl acetate (CAS 15103-31-8) 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.
3,7-dimethyloct-6-en-2-yl acetate
Also Known As: 3,7-Dimethyloct-6-en-2-yl acetate, 3,7-Dimethyl-6-octen-2-ol acetate, 6-Octen-2-ol,3,7-dimethyl-, 2-acetate, 6-Octen-2-ol, 3,7-dimethyl-, acetate, (2S,3S)-2-acetoxy-3,7-dimethyloct-6-ene
Technical Specifications
| Molecular Formula | C12H22O2 |
| Molecular Weight | 198.16199 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 198.16199 Da |
| Heavy Atoms | 14 |
| Complexity | 202.0 |
| SMILES | CC(CCC=C(C)C)C(C)OC(=O)C |
| InChIKey | ZUFHJEXSOHWOKU-UHFFFAOYSA-N |
Chemical Property Profile of 3,7-Dimethyloct-6-en-2-yl acetate
Property Insights of 3,7-Dimethyloct-6-en-2-yl acetate
The XLogP value of 3.7 indicates that 3,7-Dimethyloct-6-en-2-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3,7-Dimethyloct-6-en-2-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dimethyloct-6-en-2-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 3,7-Dimethyloct-6-en-2-yl acetate?
The CAS number of 3,7-Dimethyloct-6-en-2-yl acetate is 15103-31-8.
What is the molecular formula of 3,7-Dimethyloct-6-en-2-yl acetate?
The molecular formula of 3,7-Dimethyloct-6-en-2-yl acetate is C12H22O2.
What is the molecular weight of 3,7-Dimethyloct-6-en-2-yl acetate?
The molecular weight of 3,7-Dimethyloct-6-en-2-yl acetate is 198.16199 g/mol.
Where can I buy 3,7-Dimethyloct-6-en-2-yl acetate?
You can request a quote for 3,7-Dimethyloct-6-en-2-yl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,7-Dimethyloct-6-en-2-yl acetate?
Yes, CoreyChem provides custom synthesis services for 3,7-Dimethyloct-6-en-2-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.