3,4,4-Trimethylhex-2-ene
TL;DR: 3,4,4-Trimethylhex-2-ene (CAS 53941-19-8) 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.
3,4,4-trimethylhex-2-ene
Also Known As: 3,4,4-trimethylhex-2-ene, 3,4,4-Trimethyl-2-hexene, 2-Hexene, 3,4,4-trimethyl-
| Molecular Formula | C9H18 |
|---|---|
| Molecular Weight | 126.14 g/mol |
| LogP | 4.1 |
| 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 | 107.0 |
Chemical Identifiers
| CAS Number | 53941-19-8 |
|---|---|
| SMILES | CCC(C)(C)C(=CC)C |
| InChIKey | WDLGLTFOBAKTPU-UHFFFAOYSA-N |
Product Overview
3,4,4-Trimethylhex-2-ene (CAS 53941-19-8), with molecular formula C9H18 and molecular weight 126.14 g/mol. IUPAC: 3,4,4-trimethylhex-2-ene.
Chemical Property Profile of 3,4,4-Trimethylhex-2-ene
Property Insights of 3,4,4-Trimethylhex-2-ene
The XLogP value of 4.1 indicates that 3,4,4-Trimethylhex-2-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, 3,4,4-Trimethylhex-2-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,4-Trimethylhex-2-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 3,4,4-Trimethylhex-2-ene?
The CAS number of 3,4,4-Trimethylhex-2-ene is 53941-19-8.
What is the molecular formula of 3,4,4-Trimethylhex-2-ene?
The molecular formula of 3,4,4-Trimethylhex-2-ene is C9H18.
What is the molecular weight of 3,4,4-Trimethylhex-2-ene?
The molecular weight of 3,4,4-Trimethylhex-2-ene is 126.14 g/mol.
Where can I buy 3,4,4-Trimethylhex-2-ene?
You can request a quote for 3,4,4-Trimethylhex-2-ene 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-Trimethylhex-2-ene?
Yes, KEHONG BIO provides custom synthesis services for 3,4,4-Trimethylhex-2-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.