Ethyl 3,7-dimethyl-2,6-octadienoate
TL;DR: Ethyl 3,7-dimethyl-2,6-octadienoate (CAS 32659-20-4) 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 (2Z)-3,7-dimethylocta-2,6-dienoate
Also Known As: Ethyl nerate, Ethyl 3,7-dimethyl-2,6-octadienoate, (Z)-ethyl 3,7-dimethylocta-2,6-dienoate, ethyl (2Z)-3,7-dimethylocta-2,6-dienoate, (Z)-ETHYL 3,7-DIMETHYL-2,6-OCTADIENOATE
| Molecular Formula | C12H20O2 |
|---|---|
| Molecular Weight | 196.15 g/mol |
| LogP | 3.2422 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 196.14633 |
| Heavy Atoms | 14 |
| Complexity | 232.70628 |
Chemical Identifiers
| CAS Number | 32659-20-4 |
|---|---|
| SMILES | CCOC(=O)/C=C(/C)\CCC=C(C)C |
Product Overview
Ethyl 3,7-dimethyl-2,6-octadienoate (CAS 32659-20-4), with molecular formula C12H20O2 and molecular weight 196.15 g/mol. IUPAC: ethyl (2Z)-3,7-dimethylocta-2,6-dienoate.
Chemical Property Profile of Ethyl 3,7-dimethyl-2,6-octadienoate
Property Insights of Ethyl 3,7-dimethyl-2,6-octadienoate
The XLogP value of 3.2422 indicates that Ethyl 3,7-dimethyl-2,6-octadienoate 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-dimethyl-2,6-octadienoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3,7-dimethyl-2,6-octadienoate 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-dimethyl-2,6-octadienoate?
The CAS number of Ethyl 3,7-dimethyl-2,6-octadienoate is 32659-20-4.
What is the molecular formula of Ethyl 3,7-dimethyl-2,6-octadienoate?
The molecular formula of Ethyl 3,7-dimethyl-2,6-octadienoate is C12H20O2.
What is the molecular weight of Ethyl 3,7-dimethyl-2,6-octadienoate?
The molecular weight of Ethyl 3,7-dimethyl-2,6-octadienoate is 196.15 g/mol.
Where can I buy Ethyl 3,7-dimethyl-2,6-octadienoate?
You can request a quote for Ethyl 3,7-dimethyl-2,6-octadienoate 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-dimethyl-2,6-octadienoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,7-dimethyl-2,6-octadienoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.