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 168.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dimethylocta-2,6-dienoic acid
Also Known As: GERANIC ACID, Decaprenoic acid, Geranoic acid, 3,7-Dimethylocta-2,6-dienoic acid, GERANICACID
| Molecular Formula | C10H16O2 |
|---|---|
| Molecular Weight | 168.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 168.11504 |
| Heavy Atoms | 12 |
| Complexity | 208.0 |
| Melting Point | 21.00 °C. @ 760.00 mm Hg |
| Boiling Point | 250.00 °C. @ 760.00 mm Hg |
Chemical Identifiers
| CAS Number | 459-80-3 |
|---|---|
| SMILES | CC(=CCCC(=CC(=O)O)C)C |
| InChIKey | ZHYZQXUYZJNEHD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,7-Dimethylocta-2,6-dienoic acid (CAS 459-80-3), with molecular formula C10H16O2 and molecular weight 168.12 g/mol. IUPAC: 3,7-dimethylocta-2,6-dienoic acid.
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
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 168.12 g/mol.
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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Dimethylocta-2,6-dienoic acid?
Yes, KEHONG BIO 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.