4-Octylcyclopentane-1,3-dione
TL;DR: 4-Octylcyclopentane-1,3-dione (CAS 126624-26-8) is a chemical compound with molecular formula C13H22O2 and molecular weight 210.16199 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-octylcyclopentane-1,3-dione
Also Known As: 4-octylcyclopentane-1,3-dione, Tsibulin 1, Tsibulin 1d, 4-Octyl-1,3-cyclopentanedione, 5-octylcyclopenta-1,3-dione
Technical Specifications
| Molecular Formula | C13H22O2 |
| Molecular Weight | 210.16199 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 210.16199 Da |
| Heavy Atoms | 15 |
| Complexity | 221.0 |
| SMILES | CCCCCCCCC1CC(=O)CC1=O |
| InChIKey | SKPOJVSKGJMOJV-UHFFFAOYSA-N |
Chemical Property Profile of 4-Octylcyclopentane-1,3-dione
Property Insights of 4-Octylcyclopentane-1,3-dione
The XLogP value of 3.8 indicates that 4-Octylcyclopentane-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 4-Octylcyclopentane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Octylcyclopentane-1,3-dione has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Octylcyclopentane-1,3-dione?
The CAS number of 4-Octylcyclopentane-1,3-dione is 126624-26-8.
What is the molecular formula of 4-Octylcyclopentane-1,3-dione?
The molecular formula of 4-Octylcyclopentane-1,3-dione is C13H22O2.
What is the molecular weight of 4-Octylcyclopentane-1,3-dione?
The molecular weight of 4-Octylcyclopentane-1,3-dione is 210.16199 g/mol.
Where can I buy 4-Octylcyclopentane-1,3-dione?
You can request a quote for 4-Octylcyclopentane-1,3-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Octylcyclopentane-1,3-dione?
Yes, CoreyChem provides custom synthesis services for 4-Octylcyclopentane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.