1-Hexen-3-ol, 3-acetate
TL;DR: 1-Hexen-3-ol, 3-acetate (CAS 35926-04-6) is a chemical compound with molecular formula C8H14O2 and molecular weight 142.09938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
hex-1-en-3-yl acetate
Also Known As: 1-Hexen-3-yl acetate, hex-1-en-3-yl acetate, 1-Hexen-3-ol, acetate, 1-Propylallyl acetate, 1-Hexen-3-ol, 3-acetate
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H14O2 |
| Molecular Weight | 142.09938 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 142.09938 Da |
| Heavy Atoms | 10 |
| Complexity | 118.0 |
| SMILES | CCCC(C=C)OC(=O)C |
| InChIKey | XCAHGFCKEWDQJK-UHFFFAOYSA-N |
Chemical Property Profile of 1-Hexen-3-ol, 3-acetate
Property Insights of 1-Hexen-3-ol, 3-acetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Hexen-3-ol, 3-acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Hexen-3-ol, 3-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Hexen-3-ol, 3-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
What is the CAS number of 1-Hexen-3-ol, 3-acetate?
The CAS number of 1-Hexen-3-ol, 3-acetate is 35926-04-6.
What is the molecular formula of 1-Hexen-3-ol, 3-acetate?
The molecular formula of 1-Hexen-3-ol, 3-acetate is C8H14O2.
What is the molecular weight of 1-Hexen-3-ol, 3-acetate?
The molecular weight of 1-Hexen-3-ol, 3-acetate is 142.09938 g/mol.
Where can I buy 1-Hexen-3-ol, 3-acetate?
You can request a quote for 1-Hexen-3-ol, 3-acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Hexen-3-ol, 3-acetate?
Yes, CoreyChem provides custom synthesis services for 1-Hexen-3-ol, 3-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.