3,3-Dimethylhexane
TL;DR: 3,3-Dimethylhexane (CAS 563-16-6) is a chemical compound with molecular formula C8H18 and molecular weight 114.140854 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,3-dimethylhexane
Also Known As: 3,3-Dimethylhexane, Hexane, 3,3-dimethyl-, 3,3-dimethyl-hexane, Hexane,3-dimethyl-, 3,3-DIMETHYL HEXANE
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H18 |
| Molecular Weight | 114.140854 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 114.140854 Da |
| Heavy Atoms | 8 |
| Complexity | 53.0 |
| Melting Point | -126.1 °C |
| Boiling Point | 111.90 °C. @ 760.00 mm Hg |
| Density | 0.7100 @ 20°C |
| Vapor Pressure | 28.6 [mmHg] |
| SMILES | CCCC(C)(C)CC |
| InChIKey | KUMXLFIBWFCMOJ-UHFFFAOYSA-N |
Product Description
Applications: 3,3-Dimethylhexane is used in complex organic molecule assembly across discovery and process chemistry, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3,3-Dimethylhexane (CAS 563-16-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
3,3-Dimethylhexane is a organic building block identified by CAS number 563-16-6 and the molecular formula C8H18 and a molecular weight of 114.14 g/mol. Physically, the compound has a density of 0.7100 @ 20°C g/cm³. It is also known as 3,3-Dimethylhexane and Hexane, 3,3-dimethyl-.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3,3-Dimethylhexane
Property Insights of 3,3-Dimethylhexane
The XLogP value of 4.1 indicates that 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, 3,3-Dimethylhexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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
What is the CAS number of 3,3-Dimethylhexane?
The CAS number of 3,3-Dimethylhexane is 563-16-6.
What is the molecular formula of 3,3-Dimethylhexane?
The molecular formula of 3,3-Dimethylhexane is C8H18.
What is the molecular weight of 3,3-Dimethylhexane?
The molecular weight of 3,3-Dimethylhexane is 114.140854 g/mol.
What are the applications of 3,3-Dimethylhexane?
3,3-Dimethylhexane is used in complex organic molecule assembly across discovery and process chemistry, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3,3-Dimethylhexane (CAS 563-16-6)...
Where can I buy 3,3-Dimethylhexane?
You can request a quote for 3,3-Dimethylhexane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,3-Dimethylhexane?
Yes, CoreyChem provides custom synthesis services for 3,3-Dimethylhexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.