3,4,5-Trimethyl-1-hexene
TL;DR: 3,4,5-Trimethyl-1-hexene (CAS 56728-10-0) 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.
3,4,5-trimethylhex-1-ene
Also Known As: 3,4,5-trimethylhex-1-ene, 3,4,5-TRIMETHYL-1-HEXENE, 1-Hexene, 3,4,5-trimethyl-, 3,4,5-trimethyl-hex-1-ene, 3,4,5-Trimethyl-1-hexene #
| Molecular Formula | C9H18 |
|---|---|
| Molecular Weight | 126.14 g/mol |
| LogP | 3.8 |
| 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 | 82.0 |
Chemical Identifiers
| CAS Number | 56728-10-0 |
|---|---|
| SMILES | CC(C)C(C)C(C)C=C |
| InChIKey | NLLUKGSIZLNKDD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4,5-Trimethyl-1-hexene (CAS 56728-10-0), with molecular formula C9H18 and molecular weight 126.14 g/mol. IUPAC: 3,4,5-trimethylhex-1-ene.
Chemical Property Profile of 3,4,5-Trimethyl-1-hexene
Property Insights of 3,4,5-Trimethyl-1-hexene
The XLogP value of 3.8 indicates that 3,4,5-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, 3,4,5-Trimethyl-1-hexene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,5-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
Frequently Asked Questions
What is the CAS number of 3,4,5-Trimethyl-1-hexene?
The CAS number of 3,4,5-Trimethyl-1-hexene is 56728-10-0.
What is the molecular formula of 3,4,5-Trimethyl-1-hexene?
The molecular formula of 3,4,5-Trimethyl-1-hexene is C9H18.
What is the molecular weight of 3,4,5-Trimethyl-1-hexene?
The molecular weight of 3,4,5-Trimethyl-1-hexene is 126.14 g/mol.
Where can I buy 3,4,5-Trimethyl-1-hexene?
You can request a quote for 3,4,5-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 3,4,5-Trimethyl-1-hexene?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-Trimethyl-1-hexene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.