3,3,5-Trimethyl-1-hexene
TL;DR: 3,3,5-Trimethyl-1-hexene (CAS 13427-43-5) is a chemical compound with molecular formula C9H18 and molecular weight 126.140854 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,3,5-trimethylhex-1-ene
Also Known As: 3,3,5-trimethylhex-1-ene, 3,3,5-TRIMETHYL-1-HEXENE, 3,3,5-trimethyl-1-hexen, 1-Hexene, 3,3,5-trimethyl-, 3,3,5-Trimethyl-1-hexene #
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H18 |
| Molecular Weight | 126.140854 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 126.140854 Da |
| Heavy Atoms | 9 |
| Complexity | 88.0 |
| SMILES | CC(C)CC(C)(C)C=C |
| InChIKey | JWKWSKMAPDHZIR-UHFFFAOYSA-N |
Chemical Property Profile of 3,3,5-Trimethyl-1-hexene
Property Insights of 3,3,5-Trimethyl-1-hexene
The XLogP value of 4.1 indicates that 3,3,5-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, 3,3,5-Trimethyl-1-hexene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,5-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
What is the CAS number of 3,3,5-Trimethyl-1-hexene?
The CAS number of 3,3,5-Trimethyl-1-hexene is 13427-43-5.
What is the molecular formula of 3,3,5-Trimethyl-1-hexene?
The molecular formula of 3,3,5-Trimethyl-1-hexene is C9H18.
What is the molecular weight of 3,3,5-Trimethyl-1-hexene?
The molecular weight of 3,3,5-Trimethyl-1-hexene is 126.140854 g/mol.
Where can I buy 3,3,5-Trimethyl-1-hexene?
You can request a quote for 3,3,5-Trimethyl-1-hexene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,3,5-Trimethyl-1-hexene?
Yes, CoreyChem provides custom synthesis services for 3,3,5-Trimethyl-1-hexene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.