Methyl 3,7-dimethylocta-2,6-dienoate
TL;DR: Methyl 3,7-dimethylocta-2,6-dienoate (CAS 1189-09-9) is a chemical compound with molecular formula C11H18O2 and molecular weight 182.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,7-dimethylocta-2,6-dienoate
Also Known As: Methyl geranate, (E)-methyl geranate, Geranic acid methyl ester, methyl-3,7-dimethyl-2,6-octadienoate, METHYL 3,7-DIMETHYLOCTA-2,6-DIENOATE
| Molecular Formula | C11H18O2 |
|---|---|
| Molecular Weight | 182.13 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 182.13068 |
| Heavy Atoms | 13 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 1189-09-9 |
|---|---|
| SMILES | CC(=CCCC(=CC(=O)OC)C)C |
| InChIKey | ACOBBFVLNKYODD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3,7-dimethylocta-2,6-dienoate (CAS 1189-09-9), with molecular formula C11H18O2 and molecular weight 182.13 g/mol. IUPAC: methyl 3,7-dimethylocta-2,6-dienoate.
Chemical Property Profile of Methyl 3,7-dimethylocta-2,6-dienoate
Property Insights of Methyl 3,7-dimethylocta-2,6-dienoate
The XLogP value of 3.4 indicates that Methyl 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, Methyl 3,7-dimethylocta-2,6-dienoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 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 Methyl 3,7-dimethylocta-2,6-dienoate?
The CAS number of Methyl 3,7-dimethylocta-2,6-dienoate is 1189-09-9.
What is the molecular formula of Methyl 3,7-dimethylocta-2,6-dienoate?
The molecular formula of Methyl 3,7-dimethylocta-2,6-dienoate is C11H18O2.
What is the molecular weight of Methyl 3,7-dimethylocta-2,6-dienoate?
The molecular weight of Methyl 3,7-dimethylocta-2,6-dienoate is 182.13 g/mol.
Where can I buy Methyl 3,7-dimethylocta-2,6-dienoate?
You can request a quote for Methyl 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 Methyl 3,7-dimethylocta-2,6-dienoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,7-dimethylocta-2,6-dienoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.