3-Methyl-1-butene
TL;DR: 3-Methyl-1-butene (CAS 563-45-1) is a chemical compound with molecular formula C5H10 and molecular weight 70.07825 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methylbut-1-ene
Also Known As: 3-METHYL-1-BUTENE, Isopentene, 3-Methylbut-1-ene, Isopropylethylene, Vinylisopropyl
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H10 |
| Molecular Weight | 70.07825 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 70.07825 Da |
| Heavy Atoms | 5 |
| Complexity | 27.0 |
| Melting Point | -168.5 °C |
| Boiling Point | 20.1 °C |
| Density | 0.6213 @ 25 °C/4 °C |
| Flash Point | less than 20 °F (NFPA, 2010) |
| Vapor Pressure | 903 mm Hg @ 25 °C |
| Refractive Index | Index of refraction: 1.3643 @ 20 °C/D |
| Solubility | Soluble in benzene; miscible in ethanol and ethyl ether |
| SMILES | CC(C)C=C |
| InChIKey | YHQXBTXEYZIYOV-UHFFFAOYSA-N |
Product Description
Applications: 3-Methyl-1-butene is used in polymer chemistry and functional materials synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-Methyl-1-butene (CAS 563-45-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
3-Methyl-1-butene is a polymer intermediate identified by CAS number 563-45-1 and the molecular formula C5H10 and a molecular weight of 70.08 g/mol. Physically, the compound has a density of 0.6213 @ 25 °C/4 °C g/cm³, a solubility: Soluble in benzene; miscible in ethanol and ethyl ether. It is also known as 3-METHYL-1-BUTENE and Isopentene.
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-Methyl-1-butene
Property Insights of 3-Methyl-1-butene
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-1-butene. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Methyl-1-butene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-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-Methyl-1-butene?
The CAS number of 3-Methyl-1-butene is 563-45-1.
What is the molecular formula of 3-Methyl-1-butene?
The molecular formula of 3-Methyl-1-butene is C5H10.
What is the molecular weight of 3-Methyl-1-butene?
The molecular weight of 3-Methyl-1-butene is 70.07825 g/mol.
What are the applications of 3-Methyl-1-butene?
3-Methyl-1-butene is used in polymer chemistry and functional materials synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-Methyl-1-butene (CAS 563-45-1)...
Where can I buy 3-Methyl-1-butene?
You can request a quote for 3-Methyl-1-butene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methyl-1-butene?
Yes, CoreyChem provides custom synthesis services for 3-Methyl-1-butene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.