3,7-Dimethylocta-2,6-dienoic acid
TL;DR: 3,7-Dimethylocta-2,6-dienoic acid (CAS 459-80-3) is a chemical compound with molecular formula C10H16O2 and molecular weight 168.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,7-dimethylocta-2,6-dienoic acid
Also Known As: GERANIC ACID, Decaprenoic acid, Geranoic acid, 3,7-Dimethylocta-2,6-dienoic acid, GERANICACID
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H16O2 |
| Molecular Weight | 168.11504 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 168.11504 Da |
| Heavy Atoms | 12 |
| Complexity | 208.0 |
| Melting Point | 21.00 °C. @ 760.00 mm Hg |
| Boiling Point | 250.00 °C. @ 760.00 mm Hg |
| SMILES | CC(=CCCC(=CC(=O)O)C)C |
| InChIKey | ZHYZQXUYZJNEHD-UHFFFAOYSA-N |
Product Description
Applications: 3,7-Dimethylocta-2,6-dienoic acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3,7-Dimethylocta-2,6-dienoic acid (CAS 459-80-3) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, 3,7-Dimethylocta-2,6-dienoic acid (CAS 459-80-3) has the molecular formula C10H16O2 and a molecular weight of 168.12 g/mol. It is also known as GERANIC ACID and Decaprenoic acid.
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-Dimethylocta-2,6-dienoic acid
Property Insights of 3,7-Dimethylocta-2,6-dienoic acid
The XLogP value of 3.1 indicates that 3,7-Dimethylocta-2,6-dienoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3,7-Dimethylocta-2,6-dienoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dimethylocta-2,6-dienoic acid has 1 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-Dimethylocta-2,6-dienoic acid?
The CAS number of 3,7-Dimethylocta-2,6-dienoic acid is 459-80-3.
What is the molecular formula of 3,7-Dimethylocta-2,6-dienoic acid?
The molecular formula of 3,7-Dimethylocta-2,6-dienoic acid is C10H16O2.
What is the molecular weight of 3,7-Dimethylocta-2,6-dienoic acid?
The molecular weight of 3,7-Dimethylocta-2,6-dienoic acid is 168.11504 g/mol.
What are the applications of 3,7-Dimethylocta-2,6-dienoic acid?
3,7-Dimethylocta-2,6-dienoic acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy 3,7-Dimethylocta-2,6-dienoic acid?
You can request a quote for 3,7-Dimethylocta-2,6-dienoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,7-Dimethylocta-2,6-dienoic acid?
Yes, CoreyChem provides custom synthesis services for 3,7-Dimethylocta-2,6-dienoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.