Butanoic acid, 2,4-hexadien-1-yl ester
TL;DR: Butanoic acid, 2,4-hexadien-1-yl ester (CAS 16930-93-1) is a chemical compound with molecular formula C10H16O2 and molecular weight 168.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
hexa-2,4-dienyl butanoate
Also Known As: Sorbyl butyrate, 2,4-Hexadienyl butyrate, hexa-2,4-dienyl butanoate, Hexa-2,4-dienyl butyrate, 2,4-Hexadienol butanoate
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H16O2 |
| Molecular Weight | 168.11504 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 168.11504 Da |
| Heavy Atoms | 12 |
| Complexity | 169.0 |
| SMILES | CCCC(=O)OCC=CC=CC |
| InChIKey | PTJGYWXDEDRLPB-UHFFFAOYSA-N |
Chemical Property Profile of Butanoic acid, 2,4-hexadien-1-yl ester
Property Insights of Butanoic acid, 2,4-hexadien-1-yl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 2,4-hexadien-1-yl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Butanoic acid, 2,4-hexadien-1-yl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 2,4-hexadien-1-yl ester 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 Butanoic acid, 2,4-hexadien-1-yl ester?
The CAS number of Butanoic acid, 2,4-hexadien-1-yl ester is 16930-93-1.
What is the molecular formula of Butanoic acid, 2,4-hexadien-1-yl ester?
The molecular formula of Butanoic acid, 2,4-hexadien-1-yl ester is C10H16O2.
What is the molecular weight of Butanoic acid, 2,4-hexadien-1-yl ester?
The molecular weight of Butanoic acid, 2,4-hexadien-1-yl ester is 168.11504 g/mol.
Where can I buy Butanoic acid, 2,4-hexadien-1-yl ester?
You can request a quote for Butanoic acid, 2,4-hexadien-1-yl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butanoic acid, 2,4-hexadien-1-yl ester?
Yes, CoreyChem provides custom synthesis services for Butanoic acid, 2,4-hexadien-1-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.