Octane, 2-(or 6)-ethoxy-2,6-dimethyl-
TL;DR: Octane, 2-(or 6)-ethoxy-2,6-dimethyl- (CAS 112576-46-2) is a chemical compound with molecular formula C12H26O and molecular weight 186.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethoxy-2,6-dimethyloctane
Also Known As: 2-ethoxy-2,6-dimethyloctane, Octane, 2-(or 6)-ethoxy-2,6-dimethyl-, J3.761.133F, RefChem:855942
| Molecular Formula | C12H26O |
|---|---|
| Molecular Weight | 186.20 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 186.19836 |
| Heavy Atoms | 13 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 112576-46-2 |
|---|---|
| SMILES | CCC(C)CCCC(C)(C)OCC |
| InChIKey | KGVPDQAYYZRUIJ-UHFFFAOYSA-N |
Product Overview
Octane, 2-(or 6)-ethoxy-2,6-dimethyl- (CAS 112576-46-2), with molecular formula C12H26O and molecular weight 186.20 g/mol. IUPAC: 2-ethoxy-2,6-dimethyloctane.
Chemical Property Profile of Octane, 2-(or 6)-ethoxy-2,6-dimethyl-
Property Insights of Octane, 2-(or 6)-ethoxy-2,6-dimethyl-
The XLogP value of 4.2 indicates that Octane, 2-(or 6)-ethoxy-2,6-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Octane, 2-(or 6)-ethoxy-2,6-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octane, 2-(or 6)-ethoxy-2,6-dimethyl- has 0 hydrogen bond donor(s) and 1 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 Octane, 2-(or 6)-ethoxy-2,6-dimethyl-?
The CAS number of Octane, 2-(or 6)-ethoxy-2,6-dimethyl- is 112576-46-2.
What is the molecular formula of Octane, 2-(or 6)-ethoxy-2,6-dimethyl-?
The molecular formula of Octane, 2-(or 6)-ethoxy-2,6-dimethyl- is C12H26O.
What is the molecular weight of Octane, 2-(or 6)-ethoxy-2,6-dimethyl-?
The molecular weight of Octane, 2-(or 6)-ethoxy-2,6-dimethyl- is 186.20 g/mol.
Where can I buy Octane, 2-(or 6)-ethoxy-2,6-dimethyl-?
You can request a quote for Octane, 2-(or 6)-ethoxy-2,6-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octane, 2-(or 6)-ethoxy-2,6-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Octane, 2-(or 6)-ethoxy-2,6-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.