4,4,7-Trimethyl-1-oxacycloundec-9-ene-2,6-dione
TL;DR: 4,4,7-Trimethyl-1-oxacycloundec-9-ene-2,6-dione (CAS 85289-16-3) is a chemical compound with molecular formula C13H20O3 and molecular weight 224.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,7-trimethyl-1-oxacycloundec-9-ene-2,6-dione
Also Known As: 4,4,7-trimethyl-1-oxacycloundec-9-ene-2,6-dione, (9Z)-4,4,7-trimethyl-1-oxacycloundec-9-ene-2,6-dione
| Molecular Formula | C13H20O3 |
|---|---|
| Molecular Weight | 224.14 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 224.14125 |
| Heavy Atoms | 16 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 85289-16-3 |
|---|---|
| SMILES | CC1CC=CCOC(=O)CC(CC1=O)(C)C |
| InChIKey | JOOZKGKZZBYYOP-UHFFFAOYSA-N |
Product Overview
4,4,7-Trimethyl-1-oxacycloundec-9-ene-2,6-dione (CAS 85289-16-3), with molecular formula C13H20O3 and molecular weight 224.14 g/mol. IUPAC: 4,4,7-trimethyl-1-oxacycloundec-9-ene-2,6-dione.
Chemical Property Profile of 4,4,7-Trimethyl-1-oxacycloundec-9-ene-2,6-dione
Property Insights of 4,4,7-Trimethyl-1-oxacycloundec-9-ene-2,6-dione
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4,7-Trimethyl-1-oxacycloundec-9-ene-2,6-dione. With a topological polar surface area (TPSA) of 43.4 Ų, 4,4,7-Trimethyl-1-oxacycloundec-9-ene-2,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,7-Trimethyl-1-oxacycloundec-9-ene-2,6-dione 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 4,4,7-Trimethyl-1-oxacycloundec-9-ene-2,6-dione?
The CAS number of 4,4,7-Trimethyl-1-oxacycloundec-9-ene-2,6-dione is 85289-16-3.
What is the molecular formula of 4,4,7-Trimethyl-1-oxacycloundec-9-ene-2,6-dione?
The molecular formula of 4,4,7-Trimethyl-1-oxacycloundec-9-ene-2,6-dione is C13H20O3.
What is the molecular weight of 4,4,7-Trimethyl-1-oxacycloundec-9-ene-2,6-dione?
The molecular weight of 4,4,7-Trimethyl-1-oxacycloundec-9-ene-2,6-dione is 224.14 g/mol.
Where can I buy 4,4,7-Trimethyl-1-oxacycloundec-9-ene-2,6-dione?
You can request a quote for 4,4,7-Trimethyl-1-oxacycloundec-9-ene-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4,7-Trimethyl-1-oxacycloundec-9-ene-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 4,4,7-Trimethyl-1-oxacycloundec-9-ene-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.