Neopentane
TL;DR: Neopentane (CAS 463-82-1) is a chemical compound with molecular formula C5H12 and molecular weight 72.0939 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-dimethylpropane
Also Known As: 2,2-Dimethylpropane, Tetramethylmethane, tert-Pentane, dimethylpropane, Propane, 2,2-dimethyl-
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H12 |
| Molecular Weight | 72.0939 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 72.0939 Da |
| Heavy Atoms | 5 |
| Complexity | 15.0 |
| Melting Point | -16.37 °C |
| Boiling Point | 9.5 °C |
| Density | 0.591 at 20 °C/4 °C |
| Flash Point | less than 19.4 °F |
| Vapor Pressure | 1290.0 [mmHg] |
| Refractive Index | Index of refraction: 1.3476 at 6 °C/D |
| Solubility | In water, 33.2 mg/L at 25 °C |
| SMILES | CC(C)(C)C |
| InChIKey | CRSOQBOWXPBRES-UHFFFAOYSA-N |
Product Description
Applications: Neopentane 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Neopentane is a heterocyclic building block identified by CAS number 463-82-1 and the molecular formula C5H12 and a molecular weight of 72.09 g/mol. Physically, the compound has a density of 0.591 at 20 °C/4 °C g/cm³, a solubility: In water, 33.2 mg/L at 25 °C. Synonyms include 2,2-Dimethylpropane and Tetramethylmethane.
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 Neopentane
Property Insights of Neopentane
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Neopentane. With a topological polar surface area (TPSA) of 0.0 Ų, Neopentane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Neopentane 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 Neopentane?
The CAS number of Neopentane is 463-82-1.
What is the molecular formula of Neopentane?
The molecular formula of Neopentane is C5H12.
What is the molecular weight of Neopentane?
The molecular weight of Neopentane is 72.0939 g/mol.
What are the applications of Neopentane?
Neopentane 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. Available from CoreyChem as both catalog item and...
Where can I buy Neopentane?
You can request a quote for Neopentane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Neopentane?
Yes, CoreyChem provides custom synthesis services for Neopentane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.