3,6-Diethyl-octane
TL;DR: 3,6-Diethyl-octane (CAS 62183-94-2) is a chemical compound with molecular formula C12H26 and molecular weight 170.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-diethyloctane
Also Known As: 3,6-Diethyl-octane, 3,6-diethyloctane, Octane, 3,6-diethyl-, RefChem:91744
| Molecular Formula | C12H26 |
|---|---|
| Molecular Weight | 170.20 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 7 |
| Exact Mass | 170.20345 |
| Heavy Atoms | 12 |
| Complexity | 66.0 |
Chemical Identifiers
| CAS Number | 62183-94-2 |
|---|---|
| SMILES | CCC(CC)CCC(CC)CC |
| InChIKey | UTCTYSTYZOAAOS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,6-Diethyl-octane (CAS 62183-94-2), with molecular formula C12H26 and molecular weight 170.20 g/mol. IUPAC: 3,6-diethyloctane.
Chemical Property Profile of 3,6-Diethyl-octane
Property Insights of 3,6-Diethyl-octane
The XLogP value of 6.1 indicates that 3,6-Diethyl-octane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3,6-Diethyl-octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6-Diethyl-octane has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,6-Diethyl-octane?
The CAS number of 3,6-Diethyl-octane is 62183-94-2.
What is the molecular formula of 3,6-Diethyl-octane?
The molecular formula of 3,6-Diethyl-octane is C12H26.
What is the molecular weight of 3,6-Diethyl-octane?
The molecular weight of 3,6-Diethyl-octane is 170.20 g/mol.
Where can I buy 3,6-Diethyl-octane?
You can request a quote for 3,6-Diethyl-octane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Diethyl-octane?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Diethyl-octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.