Octane, 2-chloro-2,6-dimethyl-
TL;DR: Octane, 2-chloro-2,6-dimethyl- (CAS 102736-13-0) is a chemical compound with molecular formula C10H21Cl and molecular weight 176.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-2,6-dimethyloctane
Also Known As: Octane, 2-chloro-2,6-dimethyl-, 2-chloro-2,6-dimethyloctane, J1.551.532E, RefChem:855943
| Molecular Formula | C10H21Cl |
|---|---|
| Molecular Weight | 176.13 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 5 |
| Exact Mass | 176.13318 |
| Heavy Atoms | 11 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 102736-13-0 |
|---|---|
| SMILES | CCC(C)CCCC(C)(C)Cl |
| InChIKey | JDLSLBJTXRCRNN-UHFFFAOYSA-N |
Product Overview
Octane, 2-chloro-2,6-dimethyl- (CAS 102736-13-0), with molecular formula C10H21Cl and molecular weight 176.13 g/mol. IUPAC: 2-chloro-2,6-dimethyloctane.
Chemical Property Profile of Octane, 2-chloro-2,6-dimethyl-
Property Insights of Octane, 2-chloro-2,6-dimethyl-
The XLogP value of 4.6 indicates that Octane, 2-chloro-2,6-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Octane, 2-chloro-2,6-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octane, 2-chloro-2,6-dimethyl- 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 Octane, 2-chloro-2,6-dimethyl-?
The CAS number of Octane, 2-chloro-2,6-dimethyl- is 102736-13-0.
What is the molecular formula of Octane, 2-chloro-2,6-dimethyl-?
The molecular formula of Octane, 2-chloro-2,6-dimethyl- is C10H21Cl.
What is the molecular weight of Octane, 2-chloro-2,6-dimethyl-?
The molecular weight of Octane, 2-chloro-2,6-dimethyl- is 176.13 g/mol.
Where can I buy Octane, 2-chloro-2,6-dimethyl-?
You can request a quote for Octane, 2-chloro-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-chloro-2,6-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Octane, 2-chloro-2,6-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.