2,4,4-Trimethyl-1-pentene
TL;DR: 2,4,4-Trimethyl-1-pentene (CAS 107-39-1) is a chemical compound with molecular formula C8H16 and molecular weight 112.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,4-trimethylpent-1-ene
Also Known As: Diisobutylene, 2,4,4-TRIMETHYL-1-PENTENE, Diisobutene, 2,4,4-Trimethylpent-1-ene, Isooctene
| Molecular Formula | C8H16 |
|---|---|
| Molecular Weight | 112.13 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 112.1252 |
| Heavy Atoms | 8 |
| Complexity | 82.0 |
| Melting Point | -93.5 °C |
| Boiling Point | 101.4 °C |
| Density | 0.7150 @ 20 °C |
| Solubility | Insoluble in water. Soluble in ethyl ether, benzene, carbon tetrachloride |
| Flash Point | -5 °C |
| Vapor Pressure | 44.7 [mmHg] |
| Refractive Index | 1.4096 @ 20 °C |
Chemical Identifiers
| CAS Number | 107-39-1 |
|---|---|
| SMILES | CC(=C)CC(C)(C)C |
| InChIKey | FXNDIJDIPNCZQJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,4-Trimethyl-1-pentene (CAS 107-39-1), with molecular formula C8H16 and molecular weight 112.13 g/mol. IUPAC: 2,4,4-trimethylpent-1-ene.
Chemical Property Profile of 2,4,4-Trimethyl-1-pentene
Property Insights of 2,4,4-Trimethyl-1-pentene
The XLogP value of 3.7 indicates that 2,4,4-Trimethyl-1-pentene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,4,4-Trimethyl-1-pentene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,4-Trimethyl-1-pentene 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 2,4,4-Trimethyl-1-pentene?
The CAS number of 2,4,4-Trimethyl-1-pentene is 107-39-1.
What is the molecular formula of 2,4,4-Trimethyl-1-pentene?
The molecular formula of 2,4,4-Trimethyl-1-pentene is C8H16.
What is the molecular weight of 2,4,4-Trimethyl-1-pentene?
The molecular weight of 2,4,4-Trimethyl-1-pentene is 112.13 g/mol.
Where can I buy 2,4,4-Trimethyl-1-pentene?
You can request a quote for 2,4,4-Trimethyl-1-pentene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,4-Trimethyl-1-pentene?
Yes, KEHONG BIO provides custom synthesis services for 2,4,4-Trimethyl-1-pentene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.