Ethyl 3-hydroxy-3,7-dimethyloctanoate
TL;DR: Ethyl 3-hydroxy-3,7-dimethyloctanoate (CAS 84696-81-1) is a chemical compound with molecular formula C12H24O3 and molecular weight 216.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-hydroxy-3,7-dimethyloctanoate
Also Known As: Ethyl 3-hydroxy-3,7-dimethyloctanoate, EINECS 283-688-7, 3-Hydroxy-3,7-dimethyloctanoic acid ethyl ester, Octanoic acid,3-hydroxy-3,7-dimethyl-, ethyl ester, Octanoic acid,3-hydroxy-3,7-dimethyl-,ethyl ester
| Molecular Formula | C12H24O3 |
|---|---|
| Molecular Weight | 216.17 g/mol |
| LogP | 2.5169 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 216.17255 |
| Heavy Atoms | 15 |
| Complexity | 185.30626 |
Chemical Identifiers
| CAS Number | 84696-81-1 |
|---|---|
| SMILES | CCOC(=O)CC(C)(CCCC(C)C)O |
Product Overview
Ethyl 3-hydroxy-3,7-dimethyloctanoate (CAS 84696-81-1), with molecular formula C12H24O3 and molecular weight 216.17 g/mol. IUPAC: ethyl 3-hydroxy-3,7-dimethyloctanoate.
Chemical Property Profile of Ethyl 3-hydroxy-3,7-dimethyloctanoate
Property Insights of Ethyl 3-hydroxy-3,7-dimethyloctanoate
The XLogP value of 2.5169 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-hydroxy-3,7-dimethyloctanoate. With a topological polar surface area (TPSA) of 46.53 Ų, Ethyl 3-hydroxy-3,7-dimethyloctanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-hydroxy-3,7-dimethyloctanoate 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 Ethyl 3-hydroxy-3,7-dimethyloctanoate?
The CAS number of Ethyl 3-hydroxy-3,7-dimethyloctanoate is 84696-81-1.
What is the molecular formula of Ethyl 3-hydroxy-3,7-dimethyloctanoate?
The molecular formula of Ethyl 3-hydroxy-3,7-dimethyloctanoate is C12H24O3.
What is the molecular weight of Ethyl 3-hydroxy-3,7-dimethyloctanoate?
The molecular weight of Ethyl 3-hydroxy-3,7-dimethyloctanoate is 216.17 g/mol.
Where can I buy Ethyl 3-hydroxy-3,7-dimethyloctanoate?
You can request a quote for Ethyl 3-hydroxy-3,7-dimethyloctanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-hydroxy-3,7-dimethyloctanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-hydroxy-3,7-dimethyloctanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.