3,4,4-Trimethyl-2-pentene
TL;DR: 3,4,4-Trimethyl-2-pentene (CAS 598-96-9) 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.
3,4,4-trimethylpent-2-ene
Also Known As: 3,4,4-Trimethylpent-2-ene, 2-Pentene, 3,4,4-trimethyl-, 3,4,4-TRIMETHYL-2-PENTENE, 3,4,4-Trimethylpent-2-en, 2-Pentene,3,4,4-trimethyl
| Molecular Formula | C8H16 |
|---|---|
| Molecular Weight | 112.13 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 112.1252 |
| Heavy Atoms | 8 |
| Complexity | 91.0 |
| Boiling Point | 112 °C |
| Density | 0.735 g/cu cm @ 25 °C |
| Solubility | Soluble in ethanol |
| Flash Point | Flash point < 21 °C |
Chemical Identifiers
| CAS Number | 598-96-9 |
|---|---|
| SMILES | CC=C(C)C(C)(C)C |
| InChIKey | FZQMZRXKWHQJAG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4,4-Trimethyl-2-pentene (CAS 598-96-9), with molecular formula C8H16 and molecular weight 112.13 g/mol. IUPAC: 3,4,4-trimethylpent-2-ene.
Chemical Property Profile of 3,4,4-Trimethyl-2-pentene
Property Insights of 3,4,4-Trimethyl-2-pentene
The XLogP value of 3.6 indicates that 3,4,4-Trimethyl-2-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, 3,4,4-Trimethyl-2-pentene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,4-Trimethyl-2-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 3,4,4-Trimethyl-2-pentene?
The CAS number of 3,4,4-Trimethyl-2-pentene is 598-96-9.
What is the molecular formula of 3,4,4-Trimethyl-2-pentene?
The molecular formula of 3,4,4-Trimethyl-2-pentene is C8H16.
What is the molecular weight of 3,4,4-Trimethyl-2-pentene?
The molecular weight of 3,4,4-Trimethyl-2-pentene is 112.13 g/mol.
Where can I buy 3,4,4-Trimethyl-2-pentene?
You can request a quote for 3,4,4-Trimethyl-2-pentene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,4-Trimethyl-2-pentene?
Yes, KEHONG BIO provides custom synthesis services for 3,4,4-Trimethyl-2-pentene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.