2,4,4-Trimethyl-1-hexene
TL;DR: 2,4,4-Trimethyl-1-hexene (CAS 51174-12-0) is a chemical compound with molecular formula C9H18 and molecular weight 126.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,4-trimethylhex-1-ene
Also Known As: 2,4,4-Trimethyl-1-hexene, 2,4,4-trimethylhex-1-ene, 678-511-9, RefChem:81981, InChI=1/C9H18/c1-6-9(4,5)7-8(2)3/h2,6-7H2,1,3-5H
| Molecular Formula | C9H18 |
|---|---|
| Molecular Weight | 126.14 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 126.140854 |
| Heavy Atoms | 9 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 51174-12-0 |
|---|---|
| SMILES | CCC(C)(C)CC(=C)C |
| InChIKey | AVKVJWFFVHGHLJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,4-Trimethyl-1-hexene (CAS 51174-12-0), with molecular formula C9H18 and molecular weight 126.14 g/mol. IUPAC: 2,4,4-trimethylhex-1-ene.
Chemical Property Profile of 2,4,4-Trimethyl-1-hexene
Property Insights of 2,4,4-Trimethyl-1-hexene
The XLogP value of 4.2 indicates that 2,4,4-Trimethyl-1-hexene 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-hexene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,4-Trimethyl-1-hexene 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-hexene?
The CAS number of 2,4,4-Trimethyl-1-hexene is 51174-12-0.
What is the molecular formula of 2,4,4-Trimethyl-1-hexene?
The molecular formula of 2,4,4-Trimethyl-1-hexene is C9H18.
What is the molecular weight of 2,4,4-Trimethyl-1-hexene?
The molecular weight of 2,4,4-Trimethyl-1-hexene is 126.14 g/mol.
Where can I buy 2,4,4-Trimethyl-1-hexene?
You can request a quote for 2,4,4-Trimethyl-1-hexene 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-hexene?
Yes, KEHONG BIO provides custom synthesis services for 2,4,4-Trimethyl-1-hexene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.