Propanoic acid, 2-methyl-, 2,4-hexadien-1-yl ester
TL;DR: Propanoic acid, 2-methyl-, 2,4-hexadien-1-yl ester (CAS 16491-24-0) 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 2-methylpropanoate
Also Known As: Sorbyl isobutyrate, 2,4-Hexadienyl isobutyrate, hexylchloroformate, Hexa-2,4-dienyl isobutyrate, 3,5-Hexadienyl isobutyrate
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H16O2 |
| Molecular Weight | 168.11504 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 168.11504 Da |
| Heavy Atoms | 12 |
| Complexity | 178.0 |
| Density | 0.902-0.906 |
| Refractive Index | 1.464-1.470 |
| Solubility | Practically insoluble or insoluble in water |
| SMILES | CC=CC=CCOC(=O)C(C)C |
| InChIKey | CVYBRMSQMLJGOI-UHFFFAOYSA-N |
Chemical Property Profile of Propanoic acid, 2-methyl-, 2,4-hexadien-1-yl ester
Property Insights of Propanoic acid, 2-methyl-, 2,4-hexadien-1-yl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 2-methyl-, 2,4-hexadien-1-yl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Propanoic acid, 2-methyl-, 2,4-hexadien-1-yl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 2-methyl-, 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 Propanoic acid, 2-methyl-, 2,4-hexadien-1-yl ester?
The CAS number of Propanoic acid, 2-methyl-, 2,4-hexadien-1-yl ester is 16491-24-0.
What is the molecular formula of Propanoic acid, 2-methyl-, 2,4-hexadien-1-yl ester?
The molecular formula of Propanoic acid, 2-methyl-, 2,4-hexadien-1-yl ester is C10H16O2.
What is the molecular weight of Propanoic acid, 2-methyl-, 2,4-hexadien-1-yl ester?
The molecular weight of Propanoic acid, 2-methyl-, 2,4-hexadien-1-yl ester is 168.11504 g/mol.
Where can I buy Propanoic acid, 2-methyl-, 2,4-hexadien-1-yl ester?
You can request a quote for Propanoic acid, 2-methyl-, 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 Propanoic acid, 2-methyl-, 2,4-hexadien-1-yl ester?
Yes, CoreyChem provides custom synthesis services for Propanoic acid, 2-methyl-, 2,4-hexadien-1-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.