6-(Acetyloxy)-2-hexanone
TL;DR: 6-(Acetyloxy)-2-hexanone (CAS 4305-26-4) is a chemical compound with molecular formula C8H14O3 and molecular weight 158.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-oxohexyl acetate
Also Known As: 5-Oxohexyl acetate, 2-Hexanone, 6-(acetyloxy)-, 2-Hexanone, acetate, 5-Oxohexyl acetate #, Acetic acid 5-oxohexyl ester
| Molecular Formula | C8H14O3 |
|---|---|
| Molecular Weight | 158.09 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 158.0943 |
| Heavy Atoms | 11 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 4305-26-4 |
|---|---|
| SMILES | CC(=O)CCCCOC(=O)C |
| InChIKey | MXAYALRYWBJGFI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-(Acetyloxy)-2-hexanone (CAS 4305-26-4), with molecular formula C8H14O3 and molecular weight 158.09 g/mol. IUPAC: 5-oxohexyl acetate.
Chemical Property Profile of 6-(Acetyloxy)-2-hexanone
Property Insights of 6-(Acetyloxy)-2-hexanone
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Acetyloxy)-2-hexanone. With a topological polar surface area (TPSA) of 43.4 Ų, 6-(Acetyloxy)-2-hexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(Acetyloxy)-2-hexanone 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-(Acetyloxy)-2-hexanone?
The CAS number of 6-(Acetyloxy)-2-hexanone is 4305-26-4.
What is the molecular formula of 6-(Acetyloxy)-2-hexanone?
The molecular formula of 6-(Acetyloxy)-2-hexanone is C8H14O3.
What is the molecular weight of 6-(Acetyloxy)-2-hexanone?
The molecular weight of 6-(Acetyloxy)-2-hexanone is 158.09 g/mol.
Where can I buy 6-(Acetyloxy)-2-hexanone?
You can request a quote for 6-(Acetyloxy)-2-hexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Acetyloxy)-2-hexanone?
Yes, KEHONG BIO provides custom synthesis services for 6-(Acetyloxy)-2-hexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.