4-Ethyl-3,3-dimethylhexane
TL;DR: 4-Ethyl-3,3-dimethylhexane (CAS 52897-05-9) is a chemical compound with molecular formula C10H22 and molecular weight 142.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-3,3-dimethylhexane
Also Known As: 4-Ethyl-3,3-dimethylhexane, Hexane, 4-ethyl-3,3-dimethyl-, 3,3-dimethyl-4-ethylhexane, Hexane, 3-ethyl-4,4-dimethyl, Hexane,4-ethyl-3,3-dimethyl
| Molecular Formula | C10H22 |
|---|---|
| Molecular Weight | 142.17 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 142.17215 |
| Heavy Atoms | 10 |
| Complexity | 78.0 |
Chemical Identifiers
| CAS Number | 52897-05-9 |
|---|---|
| SMILES | CCC(CC)C(C)(C)CC |
| InChIKey | ZRTXVJYJVBTXHE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Ethyl-3,3-dimethylhexane (CAS 52897-05-9), with molecular formula C10H22 and molecular weight 142.17 g/mol. IUPAC: 4-ethyl-3,3-dimethylhexane.
Chemical Property Profile of 4-Ethyl-3,3-dimethylhexane
Property Insights of 4-Ethyl-3,3-dimethylhexane
The XLogP value of 4.9 indicates that 4-Ethyl-3,3-dimethylhexane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4-Ethyl-3,3-dimethylhexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethyl-3,3-dimethylhexane 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 4-Ethyl-3,3-dimethylhexane?
The CAS number of 4-Ethyl-3,3-dimethylhexane is 52897-05-9.
What is the molecular formula of 4-Ethyl-3,3-dimethylhexane?
The molecular formula of 4-Ethyl-3,3-dimethylhexane is C10H22.
What is the molecular weight of 4-Ethyl-3,3-dimethylhexane?
The molecular weight of 4-Ethyl-3,3-dimethylhexane is 142.17 g/mol.
Where can I buy 4-Ethyl-3,3-dimethylhexane?
You can request a quote for 4-Ethyl-3,3-dimethylhexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethyl-3,3-dimethylhexane?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethyl-3,3-dimethylhexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.