3,3-Dimethyl-1-butene
TL;DR: 3,3-Dimethyl-1-butene (CAS 558-37-2) is a chemical compound with molecular formula C6H12 and molecular weight 84.0939 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,3-dimethylbut-1-ene
Also Known As: 3,3-DIMETHYL-1-BUTENE, Neohexene, 3,3-Dimethylbut-1-ene, tert-Butylethylene, tert-Butylethene
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H12 |
| Molecular Weight | 84.0939 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 84.0939 Da |
| Heavy Atoms | 6 |
| Complexity | 45.0 |
| Vapor Pressure | 431.0 [mmHg] |
| SMILES | CC(C)(C)C=C |
| InChIKey | PKXHXOTZMFCXSH-UHFFFAOYSA-N |
Product Description
Applications: 3,3-Dimethyl-1-butene is used in polymer chemistry and functional materials synthesis, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3,3-Dimethyl-1-butene (CAS 558-37-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
3,3-Dimethyl-1-butene (CAS 558-37-2) is a polymer intermediate with the molecular formula C6H12 and a molecular weight of 84.09 g/mol. It is also known as 3,3-DIMETHYL-1-BUTENE and Neohexene.
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-Dimethyl-1-butene
Property Insights of 3,3-Dimethyl-1-butene
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dimethyl-1-butene. With a topological polar surface area (TPSA) of 0.0 Ų, 3,3-Dimethyl-1-butene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethyl-1-butene 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-Dimethyl-1-butene?
The CAS number of 3,3-Dimethyl-1-butene is 558-37-2.
What is the molecular formula of 3,3-Dimethyl-1-butene?
The molecular formula of 3,3-Dimethyl-1-butene is C6H12.
What is the molecular weight of 3,3-Dimethyl-1-butene?
The molecular weight of 3,3-Dimethyl-1-butene is 84.0939 g/mol.
What are the applications of 3,3-Dimethyl-1-butene?
3,3-Dimethyl-1-butene is used in polymer chemistry and functional materials synthesis, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3,3-Dimethyl-1-butene (CAS...
Where can I buy 3,3-Dimethyl-1-butene?
You can request a quote for 3,3-Dimethyl-1-butene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,3-Dimethyl-1-butene?
Yes, CoreyChem provides custom synthesis services for 3,3-Dimethyl-1-butene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.