3-Chloro-3-ethylhexane
TL;DR: 3-Chloro-3-ethylhexane (CAS 116530-76-8) is a chemical compound with molecular formula C8H17Cl and molecular weight 148.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-3-ethylhexane
Also Known As: 3-Chloro-3-ethylhexane, Hexane,3-chloro-3-ethyl-, 3-chloro-3-ethyl-hexane, 3-Chloro-3-ethyl hexane, Hexane,3-chloro-3-ethyl
| Molecular Formula | C8H17Cl |
|---|---|
| Molecular Weight | 148.10 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 148.10188 |
| Heavy Atoms | 9 |
| Complexity | 65.0 |
Chemical Identifiers
| CAS Number | 116530-76-8 |
|---|---|
| SMILES | CCCC(CC)(CC)Cl |
| InChIKey | GOMWAYCVQYANPT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-3-ethylhexane (CAS 116530-76-8), with molecular formula C8H17Cl and molecular weight 148.10 g/mol. IUPAC: 3-chloro-3-ethylhexane.
Chemical Property Profile of 3-Chloro-3-ethylhexane
Property Insights of 3-Chloro-3-ethylhexane
The XLogP value of 3.7 indicates that 3-Chloro-3-ethylhexane 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-Chloro-3-ethylhexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-3-ethylhexane has 0 hydrogen bond donor(s) and 0 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 3-Chloro-3-ethylhexane?
The CAS number of 3-Chloro-3-ethylhexane is 116530-76-8.
What is the molecular formula of 3-Chloro-3-ethylhexane?
The molecular formula of 3-Chloro-3-ethylhexane is C8H17Cl.
What is the molecular weight of 3-Chloro-3-ethylhexane?
The molecular weight of 3-Chloro-3-ethylhexane is 148.10 g/mol.
Where can I buy 3-Chloro-3-ethylhexane?
You can request a quote for 3-Chloro-3-ethylhexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-3-ethylhexane?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-3-ethylhexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.