6-Oxo-3-methylhexyl acetate
TL;DR: 6-Oxo-3-methylhexyl acetate (CAS 79517-78-5) is a chemical compound with molecular formula C9H16O3 and molecular weight 172.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methyl-6-oxohexyl) acetate
Also Known As: 6-Oxo-3-methylhexyl acetate, 6-Acetoxy-4-methylhexanal, 6-(Acetyloxy)-4-methylhexanal, EINECS 282-279-0, (3-methyl-6-oxohexyl) acetate
| Molecular Formula | C9H16O3 |
|---|---|
| Molecular Weight | 172.11 g/mol |
| LogP | 1.5548 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 172.10994 |
| Heavy Atoms | 12 |
| Complexity | 142.70908 |
Chemical Identifiers
| CAS Number | 79517-78-5 |
|---|---|
| SMILES | CC(CCC=O)CCOC(=O)C |
Product Overview
6-Oxo-3-methylhexyl acetate (CAS 79517-78-5), with molecular formula C9H16O3 and molecular weight 172.11 g/mol. IUPAC: (3-methyl-6-oxohexyl) acetate.
Chemical Property Profile of 6-Oxo-3-methylhexyl acetate
Property Insights of 6-Oxo-3-methylhexyl acetate
The XLogP value of 1.5548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Oxo-3-methylhexyl acetate. With a topological polar surface area (TPSA) of 43.37 Ų, 6-Oxo-3-methylhexyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Oxo-3-methylhexyl 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 6-Oxo-3-methylhexyl acetate?
The CAS number of 6-Oxo-3-methylhexyl acetate is 79517-78-5.
What is the molecular formula of 6-Oxo-3-methylhexyl acetate?
The molecular formula of 6-Oxo-3-methylhexyl acetate is C9H16O3.
What is the molecular weight of 6-Oxo-3-methylhexyl acetate?
The molecular weight of 6-Oxo-3-methylhexyl acetate is 172.11 g/mol.
Where can I buy 6-Oxo-3-methylhexyl acetate?
You can request a quote for 6-Oxo-3-methylhexyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Oxo-3-methylhexyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 6-Oxo-3-methylhexyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.