3,3-Diethylpentane-2,4-dione
TL;DR: 3,3-Diethylpentane-2,4-dione (CAS 15119-66-1) is a chemical compound with molecular formula C9H16O2 and molecular weight 156.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,3-diethylpentane-2,4-dione
Also Known As: 3,3-Diethylpentane-2,4-dione, 3,3-diethylacetylacetone, 3,3-Diethyl-2,4-pentanedione, 3,3-Diethyl-2,4-Pentandione, 2,4-Pentanedione,3,3-diethyl
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H16O2 |
| Molecular Weight | 156.11504 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 156.11504 Da |
| Heavy Atoms | 11 |
| Complexity | 150.0 |
| SMILES | CCC(CC)(C(=O)C)C(=O)C |
| InChIKey | AVNABQMXUUJVKY-UHFFFAOYSA-N |
Chemical Property Profile of 3,3-Diethylpentane-2,4-dione
Property Insights of 3,3-Diethylpentane-2,4-dione
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Diethylpentane-2,4-dione. With a topological polar surface area (TPSA) of 34.1 Ų, 3,3-Diethylpentane-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Diethylpentane-2,4-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 3,3-Diethylpentane-2,4-dione?
The CAS number of 3,3-Diethylpentane-2,4-dione is 15119-66-1.
What is the molecular formula of 3,3-Diethylpentane-2,4-dione?
The molecular formula of 3,3-Diethylpentane-2,4-dione is C9H16O2.
What is the molecular weight of 3,3-Diethylpentane-2,4-dione?
The molecular weight of 3,3-Diethylpentane-2,4-dione is 156.11504 g/mol.
Where can I buy 3,3-Diethylpentane-2,4-dione?
You can request a quote for 3,3-Diethylpentane-2,4-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,3-Diethylpentane-2,4-dione?
Yes, CoreyChem provides custom synthesis services for 3,3-Diethylpentane-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.