Ethyl 3,7-dimethylocta-2,6-dienoate
TL;DR: Ethyl 3,7-dimethylocta-2,6-dienoate (CAS 13058-12-3) is a chemical compound with molecular formula C12H20O2 and molecular weight 196.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,7-dimethylocta-2,6-dienoate
Also Known As: Ethyl geranate, (E)-ethyl geranate, Ethyl (Z)-Geranate-d6, Ethyl 3,7-dimethylocta-2,6-dienoate, 2,6-Octadienoic acid, 3,7-dimethyl-, ethyl ester
| Molecular Formula | C12H20O2 |
|---|---|
| Molecular Weight | 196.15 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 196.14633 |
| Heavy Atoms | 14 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 13058-12-3 |
|---|---|
| SMILES | CCOC(=O)C=C(C)CCC=C(C)C |
| InChIKey | ZPKNTCZTABQJPS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3,7-dimethylocta-2,6-dienoate (CAS 13058-12-3), with molecular formula C12H20O2 and molecular weight 196.15 g/mol. IUPAC: ethyl 3,7-dimethylocta-2,6-dienoate.
Chemical Property Profile of Ethyl 3,7-dimethylocta-2,6-dienoate
Property Insights of Ethyl 3,7-dimethylocta-2,6-dienoate
The XLogP value of 3.8 indicates that Ethyl 3,7-dimethylocta-2,6-dienoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 3,7-dimethylocta-2,6-dienoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3,7-dimethylocta-2,6-dienoate 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
Frequently Asked Questions
What is the CAS number of Ethyl 3,7-dimethylocta-2,6-dienoate?
The CAS number of Ethyl 3,7-dimethylocta-2,6-dienoate is 13058-12-3.
What is the molecular formula of Ethyl 3,7-dimethylocta-2,6-dienoate?
The molecular formula of Ethyl 3,7-dimethylocta-2,6-dienoate is C12H20O2.
What is the molecular weight of Ethyl 3,7-dimethylocta-2,6-dienoate?
The molecular weight of Ethyl 3,7-dimethylocta-2,6-dienoate is 196.15 g/mol.
Where can I buy Ethyl 3,7-dimethylocta-2,6-dienoate?
You can request a quote for Ethyl 3,7-dimethylocta-2,6-dienoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3,7-dimethylocta-2,6-dienoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,7-dimethylocta-2,6-dienoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.