2,2,5-Trimethylhex-4-enyl acetate
TL;DR: 2,2,5-Trimethylhex-4-enyl acetate (CAS 94087-22-6) is a chemical compound with molecular formula C11H20O2 and molecular weight 184.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,5-trimethylhex-4-enyl acetate
Also Known As: 2,2,5-Trimethylhex-4-enyl acetate, EINECS 301-915-0, 2,2,5-Trimethyl-4-hexen-1-ol acetate, 2,2,5-TRIMETHYLHEX-4-EN-1-YL ACETATE, 4-Hexen-1-ol, 2,2,5-trimethyl-, acetate
| Molecular Formula | C11H20O2 |
|---|---|
| Molecular Weight | 184.15 g/mol |
| LogP | 2.932 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 184.14633 |
| Heavy Atoms | 13 |
| Complexity | 198.13582 |
Chemical Identifiers
| CAS Number | 94087-22-6 |
|---|---|
| SMILES | CC(=CCC(C)(C)COC(=O)C)C |
Product Overview
2,2,5-Trimethylhex-4-enyl acetate (CAS 94087-22-6), with molecular formula C11H20O2 and molecular weight 184.15 g/mol. IUPAC: 2,2,5-trimethylhex-4-enyl acetate.
Chemical Property Profile of 2,2,5-Trimethylhex-4-enyl acetate
Property Insights of 2,2,5-Trimethylhex-4-enyl acetate
The XLogP value of 2.932 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,5-Trimethylhex-4-enyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 2,2,5-Trimethylhex-4-enyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,5-Trimethylhex-4-enyl acetate has 0 hydrogen bond donor(s) and 2 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-4-enyl acetate?
The CAS number of 2,2,5-Trimethylhex-4-enyl acetate is 94087-22-6.
What is the molecular formula of 2,2,5-Trimethylhex-4-enyl acetate?
The molecular formula of 2,2,5-Trimethylhex-4-enyl acetate is C11H20O2.
What is the molecular weight of 2,2,5-Trimethylhex-4-enyl acetate?
The molecular weight of 2,2,5-Trimethylhex-4-enyl acetate is 184.15 g/mol.
Where can I buy 2,2,5-Trimethylhex-4-enyl acetate?
You can request a quote for 2,2,5-Trimethylhex-4-enyl acetate 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-4-enyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,5-Trimethylhex-4-enyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.