(2E,4E)-2,4-Hexadien-1-yl 2-methylpropanoate
TL;DR: (2E,4E)-2,4-Hexadien-1-yl 2-methylpropanoate (CAS 1679-27-2) is a chemical compound with molecular formula C10H16O2 and molecular weight 168.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2E,4E)-hexa-2,4-dienyl] 2-methylpropanoate
Also Known As: 2,4-Hexadienyl isobutyrate, Sorbyl isobutyrate, Hexa-2,4-dienyl isobutyrate, 3,5-Hexadienyl isobutyrate, FEMA NO. 4134
| Molecular Formula | C10H16O2 |
|---|---|
| Molecular Weight | 168.12 g/mol |
| LogP | 2.3179 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 168.11504 |
| Heavy Atoms | 12 |
| Complexity | 178.2776 |
Chemical Identifiers
| CAS Number | 1679-27-2 |
|---|---|
| SMILES | C/C=C/C=C/COC(=O)C(C)C |
Product Overview
(2E,4E)-2,4-Hexadien-1-yl 2-methylpropanoate (CAS 1679-27-2), with molecular formula C10H16O2 and molecular weight 168.12 g/mol. IUPAC: [(2E,4E)-hexa-2,4-dienyl] 2-methylpropanoate.
Chemical Property Profile of (2E,4E)-2,4-Hexadien-1-yl 2-methylpropanoate
Property Insights of (2E,4E)-2,4-Hexadien-1-yl 2-methylpropanoate
The XLogP value of 2.3179 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E,4E)-2,4-Hexadien-1-yl 2-methylpropanoate. With a topological polar surface area (TPSA) of 26.3 Ų, (2E,4E)-2,4-Hexadien-1-yl 2-methylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E,4E)-2,4-Hexadien-1-yl 2-methylpropanoate 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 (2E,4E)-2,4-Hexadien-1-yl 2-methylpropanoate?
The CAS number of (2E,4E)-2,4-Hexadien-1-yl 2-methylpropanoate is 1679-27-2.
What is the molecular formula of (2E,4E)-2,4-Hexadien-1-yl 2-methylpropanoate?
The molecular formula of (2E,4E)-2,4-Hexadien-1-yl 2-methylpropanoate is C10H16O2.
What is the molecular weight of (2E,4E)-2,4-Hexadien-1-yl 2-methylpropanoate?
The molecular weight of (2E,4E)-2,4-Hexadien-1-yl 2-methylpropanoate is 168.12 g/mol.
Where can I buy (2E,4E)-2,4-Hexadien-1-yl 2-methylpropanoate?
You can request a quote for (2E,4E)-2,4-Hexadien-1-yl 2-methylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E,4E)-2,4-Hexadien-1-yl 2-methylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for (2E,4E)-2,4-Hexadien-1-yl 2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.