![[(Z)-3-methyl-6-oxohex-2-enyl] acetate structure](/static/products/278/27872-59-9.png)
[(Z)-3-methyl-6-oxohex-2-enyl] acetate
TL;DR: [(Z)-3-methyl-6-oxohex-2-enyl] acetate (CAS 27872-59-9) is a chemical compound with molecular formula C9H14O3 and molecular weight 170.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(Z)-3-methyl-6-oxohex-2-enyl] acetate
Also Known As: (Z)-4-Methyl-6-acetoxy-4-hexenal, (4Z)-6-Acetoxy-4-methyl-4-hexenal, [(Z)-3-methyl-6-oxohex-2-enyl] acetate, (2Z)-3-methyl-6-oxohex-2-en-1-yl acetate, J1.251.401H
| Molecular Formula | C9H14O3 |
|---|---|
| Molecular Weight | 170.09 g/mol |
| LogP | 1.4749 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 170.0943 |
| Heavy Atoms | 12 |
| Complexity | 182.21266 |
Chemical Identifiers
| CAS Number | 27872-59-9 |
|---|---|
| SMILES | C/C(=C/COC(=O)C)/CCC=O |
Product Overview
[(Z)-3-methyl-6-oxohex-2-enyl] acetate (CAS 27872-59-9), with molecular formula C9H14O3 and molecular weight 170.09 g/mol. IUPAC: [(Z)-3-methyl-6-oxohex-2-enyl] acetate.
Chemical Property Profile of [(Z)-3-methyl-6-oxohex-2-enyl] acetate
Property Insights of [(Z)-3-methyl-6-oxohex-2-enyl] acetate
The XLogP value of 1.4749 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(Z)-3-methyl-6-oxohex-2-enyl] acetate. With a topological polar surface area (TPSA) of 43.37 Ų, [(Z)-3-methyl-6-oxohex-2-enyl] acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(Z)-3-methyl-6-oxohex-2-enyl] acetate 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
Frequently Asked Questions
What is the CAS number of [(Z)-3-methyl-6-oxohex-2-enyl] acetate?
The CAS number of [(Z)-3-methyl-6-oxohex-2-enyl] acetate is 27872-59-9.
What is the molecular formula of [(Z)-3-methyl-6-oxohex-2-enyl] acetate?
The molecular formula of [(Z)-3-methyl-6-oxohex-2-enyl] acetate is C9H14O3.
What is the molecular weight of [(Z)-3-methyl-6-oxohex-2-enyl] acetate?
The molecular weight of [(Z)-3-methyl-6-oxohex-2-enyl] acetate is 170.09 g/mol.
Where can I buy [(Z)-3-methyl-6-oxohex-2-enyl] acetate?
You can request a quote for [(Z)-3-methyl-6-oxohex-2-enyl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(Z)-3-methyl-6-oxohex-2-enyl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [(Z)-3-methyl-6-oxohex-2-enyl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.