2-Hexyl-4-acetoxytetrahydrofuran
TL;DR: 2-Hexyl-4-acetoxytetrahydrofuran (CAS 10039-39-1) is a chemical compound with molecular formula C12H22O3 and molecular weight 214.15689 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5-hexyloxolan-3-yl) acetate
Also Known As: (5-hexyloxolan-3-yl) acetate, 2-Hexyl-4-acetoxytetrahydrofuran, 5-Hexyltetrahydro-3-furanyl acetate, 5-hexyl-3-tetrahydrofuryl acetate, 4-Acetoxy-2-hexyltetrahydrofuran
Technical Specifications
| Molecular Formula | C12H22O3 |
| Molecular Weight | 214.15689 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 214.15689 Da |
| Heavy Atoms | 15 |
| Complexity | 191.0 |
| Boiling Point | 275.00 to 276.00 °C. @ 760.00 mm Hg |
| Density | 0.952-0.961 |
| Refractive Index | 1.465-1.475 |
| Solubility | slightly |
| SMILES | CCCCCCC1CC(CO1)OC(=O)C |
| InChIKey | IAJCTZJZXRAPDK-UHFFFAOYSA-N |
Chemical Property Profile of 2-Hexyl-4-acetoxytetrahydrofuran
Property Insights of 2-Hexyl-4-acetoxytetrahydrofuran
The XLogP value of 3.1 indicates that 2-Hexyl-4-acetoxytetrahydrofuran is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 2-Hexyl-4-acetoxytetrahydrofuran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hexyl-4-acetoxytetrahydrofuran has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Hexyl-4-acetoxytetrahydrofuran?
The CAS number of 2-Hexyl-4-acetoxytetrahydrofuran is 10039-39-1.
What is the molecular formula of 2-Hexyl-4-acetoxytetrahydrofuran?
The molecular formula of 2-Hexyl-4-acetoxytetrahydrofuran is C12H22O3.
What is the molecular weight of 2-Hexyl-4-acetoxytetrahydrofuran?
The molecular weight of 2-Hexyl-4-acetoxytetrahydrofuran is 214.15689 g/mol.
Where can I buy 2-Hexyl-4-acetoxytetrahydrofuran?
You can request a quote for 2-Hexyl-4-acetoxytetrahydrofuran directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Hexyl-4-acetoxytetrahydrofuran?
Yes, CoreyChem provides custom synthesis services for 2-Hexyl-4-acetoxytetrahydrofuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.