3,3-Dimethylpentane
TL;DR: 3,3-Dimethylpentane (CAS 562-49-2) is a chemical compound with molecular formula C7H16 and molecular weight 100.1252 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,3-dimethylpentane
Also Known As: 3,3-DIMETHYLPENTANE, Pentane, 3,3-dimethyl-, Pentane,3,3-dimethyl-, 3.3-Dimethyl pentane, Pentane,3-dimethyl-
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H16 |
| Molecular Weight | 100.1252 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 100.1252 Da |
| Heavy Atoms | 7 |
| Complexity | 38.0 |
| Vapor Pressure | 82.7 [mmHg] |
| SMILES | CCC(C)(C)CC |
| InChIKey | AEXMKKGTQYQZCS-UHFFFAOYSA-N |
Product Description
Applications: 3,3-Dimethylpentane is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3,3-Dimethylpentane (CAS 562-49-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
3,3-Dimethylpentane (CAS 562-49-2) is a heterocyclic building block with the molecular formula C7H16 and a molecular weight of 100.13 g/mol. It is also known as 3,3-DIMETHYLPENTANE and Pentane, 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-Dimethylpentane
Property Insights of 3,3-Dimethylpentane
The XLogP value of 3.6 indicates that 3,3-Dimethylpentane 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-Dimethylpentane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethylpentane 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-Dimethylpentane?
The CAS number of 3,3-Dimethylpentane is 562-49-2.
What is the molecular formula of 3,3-Dimethylpentane?
The molecular formula of 3,3-Dimethylpentane is C7H16.
What is the molecular weight of 3,3-Dimethylpentane?
The molecular weight of 3,3-Dimethylpentane is 100.1252 g/mol.
What are the applications of 3,3-Dimethylpentane?
3,3-Dimethylpentane is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3,3-Dimethylpentane (CAS 562-49-2)...
Where can I buy 3,3-Dimethylpentane?
You can request a quote for 3,3-Dimethylpentane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,3-Dimethylpentane?
Yes, CoreyChem provides custom synthesis services for 3,3-Dimethylpentane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.