3,7-Dimethyloct-7-enyl propanoate
TL;DR: 3,7-Dimethyloct-7-enyl propanoate (CAS 105-89-5) is a chemical compound with molecular formula C13H24O2 and molecular weight 212.17763 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,7-dimethyloct-7-enyl propanoate
Also Known As: Rhodinyl propionate, Rhodinyl propanoate, rhodinylpropionat-, 4-Acetylphenylacetylene, 3,7-dimethyloct-7-enyl propanoate
Technical Specifications
| Molecular Formula | C13H24O2 |
| Molecular Weight | 212.17763 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 212.17763 Da |
| Heavy Atoms | 15 |
| Complexity | 197.0 |
| SMILES | CCC(=O)OCCC(C)CCCC(=C)C |
| InChIKey | HIOFEMJTKIEZFX-UHFFFAOYSA-N |
Product Description
Applications: 3,7-Dimethyloct-7-enyl propanoate is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
3,7-Dimethyloct-7-enyl propanoate is a fine chemical identified by CAS number 105-89-5 and the molecular formula C13H24O2 and a molecular weight of 212.18 g/mol. Synonyms include Rhodinyl propionate and Rhodinyl propanoate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3,7-Dimethyloct-7-enyl propanoate
Property Insights of 3,7-Dimethyloct-7-enyl propanoate
The XLogP value of 4.5 indicates that 3,7-Dimethyloct-7-enyl propanoate 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-7-enyl propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dimethyloct-7-enyl propanoate 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-7-enyl propanoate?
The CAS number of 3,7-Dimethyloct-7-enyl propanoate is 105-89-5.
What is the molecular formula of 3,7-Dimethyloct-7-enyl propanoate?
The molecular formula of 3,7-Dimethyloct-7-enyl propanoate is C13H24O2.
What is the molecular weight of 3,7-Dimethyloct-7-enyl propanoate?
The molecular weight of 3,7-Dimethyloct-7-enyl propanoate is 212.17763 g/mol.
What are the applications of 3,7-Dimethyloct-7-enyl propanoate?
3,7-Dimethyloct-7-enyl propanoate is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA,...
Where can I buy 3,7-Dimethyloct-7-enyl propanoate?
You can request a quote for 3,7-Dimethyloct-7-enyl propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,7-Dimethyloct-7-enyl propanoate?
Yes, CoreyChem provides custom synthesis services for 3,7-Dimethyloct-7-enyl propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.