Octane, 3-methoxy-
TL;DR: Octane, 3-methoxy- (CAS 54658-02-5) is a chemical compound with molecular formula C9H20O and molecular weight 144.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxyoctane
Also Known As: 3-methoxyoctane, Octane, 3-methoxy-, 3-methoxy-octane, 1-Ethylhexyl methyl ether, 1-Ethylhexyl methyl ether #
| Molecular Formula | C9H20O |
|---|---|
| Molecular Weight | 144.15 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 144.15141 |
| Heavy Atoms | 10 |
| Complexity | 61.0 |
Chemical Identifiers
| CAS Number | 54658-02-5 |
|---|---|
| SMILES | CCCCCC(CC)OC |
| InChIKey | FRFFONQXEGIMOW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octane, 3-methoxy- (CAS 54658-02-5), with molecular formula C9H20O and molecular weight 144.15 g/mol. IUPAC: 3-methoxyoctane.
Chemical Property Profile of Octane, 3-methoxy-
Property Insights of Octane, 3-methoxy-
The XLogP value of 3.4 indicates that Octane, 3-methoxy- 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, 3-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octane, 3-methoxy- 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, 3-methoxy-?
The CAS number of Octane, 3-methoxy- is 54658-02-5.
What is the molecular formula of Octane, 3-methoxy-?
The molecular formula of Octane, 3-methoxy- is C9H20O.
What is the molecular weight of Octane, 3-methoxy-?
The molecular weight of Octane, 3-methoxy- is 144.15 g/mol.
Where can I buy Octane, 3-methoxy-?
You can request a quote for Octane, 3-methoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octane, 3-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for Octane, 3-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.