Methyl 8-hydroxy-3,7-dimethylocta-2,6-dienoate
TL;DR: Methyl 8-hydroxy-3,7-dimethylocta-2,6-dienoate (CAS 94852-97-8) is a chemical compound with molecular formula C11H18O3 and molecular weight 198.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dienoate
Also Known As: methyl 8-hydroxy-3,7-dimethylocta-2,6-dienoate, (2E,6E)-Methyl 8-Hydroxy-3,7-dimethylocta-2,6-dienoate, methyl (2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dienoate, 2,6-octadienoic acid, 8-hydroxy-3,7-dimethyl-, methyl ester, InChI=1/C11H18O3/c1-9(7-11(13)14-3)5-4-6-10(2)8-12/h6-7,12H,4-5,8H2,1-3H3/b9-7+,10-6
| Molecular Formula | C11H18O3 |
|---|---|
| Molecular Weight | 198.13 g/mol |
| LogP | 1.8245 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 198.1256 |
| Heavy Atoms | 14 |
| Complexity | 238.9172 |
Chemical Identifiers
| CAS Number | 94852-97-8 |
|---|---|
| SMILES | C/C(=C\C(=O)OC)/CC/C=C(\C)/CO |
Product Overview
Methyl 8-hydroxy-3,7-dimethylocta-2,6-dienoate (CAS 94852-97-8), with molecular formula C11H18O3 and molecular weight 198.13 g/mol. IUPAC: methyl (2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dienoate.
Chemical Property Profile of Methyl 8-hydroxy-3,7-dimethylocta-2,6-dienoate
Property Insights of Methyl 8-hydroxy-3,7-dimethylocta-2,6-dienoate
The XLogP value of 1.8245 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 8-hydroxy-3,7-dimethylocta-2,6-dienoate. With a topological polar surface area (TPSA) of 46.53 Ų, Methyl 8-hydroxy-3,7-dimethylocta-2,6-dienoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 8-hydroxy-3,7-dimethylocta-2,6-dienoate has 1 hydrogen bond donor(s) and 3 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 8-hydroxy-3,7-dimethylocta-2,6-dienoate?
The CAS number of Methyl 8-hydroxy-3,7-dimethylocta-2,6-dienoate is 94852-97-8.
What is the molecular formula of Methyl 8-hydroxy-3,7-dimethylocta-2,6-dienoate?
The molecular formula of Methyl 8-hydroxy-3,7-dimethylocta-2,6-dienoate is C11H18O3.
What is the molecular weight of Methyl 8-hydroxy-3,7-dimethylocta-2,6-dienoate?
The molecular weight of Methyl 8-hydroxy-3,7-dimethylocta-2,6-dienoate is 198.13 g/mol.
Where can I buy Methyl 8-hydroxy-3,7-dimethylocta-2,6-dienoate?
You can request a quote for Methyl 8-hydroxy-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 8-hydroxy-3,7-dimethylocta-2,6-dienoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 8-hydroxy-3,7-dimethylocta-2,6-dienoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.