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 70.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbut-1-ene
Also Known As: 3-METHYL-1-BUTENE, Isopentene, 3-Methylbut-1-ene, Isopropylethylene, Vinylisopropyl
| Molecular Formula | C5H10 |
|---|---|
| Molecular Weight | 70.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 70.07825 |
| Heavy Atoms | 5 |
| Complexity | 27.0 |
| Melting Point | -168.5 °C |
| Boiling Point | 20.1 °C |
| Density | 0.6213 @ 25 °C |
| Solubility | Soluble in benzene; miscible in ethanol and ethyl ether |
| Flash Point | less than -6.7 °C (NFPA, 2010) |
| Vapor Pressure | 903 mm Hg @ 25 °C |
| Refractive Index | 1.3643 @ 20 °C |
Chemical Identifiers
| CAS Number | 563-45-1 |
|---|---|
| SMILES | CC(C)C=C |
| InChIKey | YHQXBTXEYZIYOV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-1-butene (CAS 563-45-1), with molecular formula C5H10 and molecular weight 70.08 g/mol. IUPAC: 3-methylbut-1-ene.
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
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 70.08 g/mol.
Where can I buy 3-Methyl-1-butene?
You can request a quote for 3-Methyl-1-butene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-1-butene?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1-butene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.