2,2,5-Trimethylhex-3-ene
TL;DR: 2,2,5-Trimethylhex-3-ene (CAS 70689-88-2) 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.
2,2,5-trimethylhex-3-ene
Also Known As: 2,2,5-Trimethylhex-3-ene, (E)-2,2,5-trimethyl-3-hexene, 3-Hexene, 2,2,5-trimethyl-, (3E)-, RefChem:1059036
| Molecular Formula | C9H18 |
|---|---|
| Molecular Weight | 126.14 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 | 126.140854 |
| Heavy Atoms | 9 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 70689-88-2 |
|---|---|
| SMILES | CC(C)C=CC(C)(C)C |
| InChIKey | TWZONWQQRUSASE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,5-Trimethylhex-3-ene (CAS 70689-88-2), with molecular formula C9H18 and molecular weight 126.14 g/mol. IUPAC: 2,2,5-trimethylhex-3-ene.
Chemical Property Profile of 2,2,5-Trimethylhex-3-ene
Property Insights of 2,2,5-Trimethylhex-3-ene
The XLogP value of 3.7 indicates that 2,2,5-Trimethylhex-3-ene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,2,5-Trimethylhex-3-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,5-Trimethylhex-3-ene 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 2,2,5-Trimethylhex-3-ene?
The CAS number of 2,2,5-Trimethylhex-3-ene is 70689-88-2.
What is the molecular formula of 2,2,5-Trimethylhex-3-ene?
The molecular formula of 2,2,5-Trimethylhex-3-ene is C9H18.
What is the molecular weight of 2,2,5-Trimethylhex-3-ene?
The molecular weight of 2,2,5-Trimethylhex-3-ene is 126.14 g/mol.
Where can I buy 2,2,5-Trimethylhex-3-ene?
You can request a quote for 2,2,5-Trimethylhex-3-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,5-Trimethylhex-3-ene?
Yes, KEHONG BIO provides custom synthesis services for 2,2,5-Trimethylhex-3-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.