(3-Methyl-6-oxohex-2-enyl) acetate
TL;DR: (3-Methyl-6-oxohex-2-enyl) acetate (CAS 35334-60-2) 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.
(3-methyl-6-oxohex-2-enyl) acetate
Also Known As: (3-methyl-6-oxohex-2-enyl) acetate, [(E)-3-methyl-6-oxohex-2-enyl] acetate
| Molecular Formula | C9H14O3 |
|---|---|
| Molecular Weight | 170.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 170.0943 |
| Heavy Atoms | 12 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 35334-60-2 |
|---|---|
| SMILES | CC(=CCOC(=O)C)CCC=O |
| InChIKey | RGAIVGKJOJFCTG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3-Methyl-6-oxohex-2-enyl) acetate (CAS 35334-60-2), with molecular formula C9H14O3 and molecular weight 170.09 g/mol. IUPAC: (3-methyl-6-oxohex-2-enyl) acetate.
Chemical Property Profile of (3-Methyl-6-oxohex-2-enyl) acetate
Property Insights of (3-Methyl-6-oxohex-2-enyl) acetate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Methyl-6-oxohex-2-enyl) acetate. With a topological polar surface area (TPSA) of 43.4 Ų, (3-Methyl-6-oxohex-2-enyl) acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (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 (3-Methyl-6-oxohex-2-enyl) acetate?
The CAS number of (3-Methyl-6-oxohex-2-enyl) acetate is 35334-60-2.
What is the molecular formula of (3-Methyl-6-oxohex-2-enyl) acetate?
The molecular formula of (3-Methyl-6-oxohex-2-enyl) acetate is C9H14O3.
What is the molecular weight of (3-Methyl-6-oxohex-2-enyl) acetate?
The molecular weight of (3-Methyl-6-oxohex-2-enyl) acetate is 170.09 g/mol.
Where can I buy (3-Methyl-6-oxohex-2-enyl) acetate?
You can request a quote for (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 (3-Methyl-6-oxohex-2-enyl) acetate?
Yes, KEHONG BIO provides custom synthesis services for (3-Methyl-6-oxohex-2-enyl) acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.