6,7-Dodecanedione
TL;DR: 6,7-Dodecanedione (CAS 13757-90-9) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16199 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dodecane-6,7-dione
Also Known As: Dodecane-6,7-dione, 6,7-DODECANEDIONE, dodecan-6,7-dion
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H22O2 |
| Molecular Weight | 198.16199 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 198.16199 Da |
| Heavy Atoms | 14 |
| Complexity | 153.0 |
| SMILES | CCCCCC(=O)C(=O)CCCCC |
| InChIKey | HGPCKXFCLDLIFH-UHFFFAOYSA-N |
Chemical Property Profile of 6,7-Dodecanedione
Property Insights of 6,7-Dodecanedione
The XLogP value of 3.4 indicates that 6,7-Dodecanedione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 6,7-Dodecanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,7-Dodecanedione 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 6,7-Dodecanedione?
The CAS number of 6,7-Dodecanedione is 13757-90-9.
What is the molecular formula of 6,7-Dodecanedione?
The molecular formula of 6,7-Dodecanedione is C12H22O2.
What is the molecular weight of 6,7-Dodecanedione?
The molecular weight of 6,7-Dodecanedione is 198.16199 g/mol.
Where can I buy 6,7-Dodecanedione?
You can request a quote for 6,7-Dodecanedione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6,7-Dodecanedione?
Yes, CoreyChem provides custom synthesis services for 6,7-Dodecanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.