Hexa-1,5-diene-3,4-dione
TL;DR: Hexa-1,5-diene-3,4-dione (CAS 104910-78-3) is a chemical compound with molecular formula C6H6O2 and molecular weight 110.03678 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
hexa-1,5-diene-3,4-dione
Also Known As: Hexa-1,5-diene-3,4-dione, vinyl diketone, 1,5-Hexadiene-3,4-dione
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H6O2 |
| Molecular Weight | 110.03678 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 110.03678 Da |
| Heavy Atoms | 8 |
| Complexity | 127.0 |
| SMILES | C=CC(=O)C(=O)C=C |
| InChIKey | MMPZYDUOPLQDHR-UHFFFAOYSA-N |
Chemical Property Profile of Hexa-1,5-diene-3,4-dione
Property Insights of Hexa-1,5-diene-3,4-dione
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexa-1,5-diene-3,4-dione. With a topological polar surface area (TPSA) of 34.1 Ų, Hexa-1,5-diene-3,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexa-1,5-diene-3,4-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 Hexa-1,5-diene-3,4-dione?
The CAS number of Hexa-1,5-diene-3,4-dione is 104910-78-3.
What is the molecular formula of Hexa-1,5-diene-3,4-dione?
The molecular formula of Hexa-1,5-diene-3,4-dione is C6H6O2.
What is the molecular weight of Hexa-1,5-diene-3,4-dione?
The molecular weight of Hexa-1,5-diene-3,4-dione is 110.03678 g/mol.
Where can I buy Hexa-1,5-diene-3,4-dione?
You can request a quote for Hexa-1,5-diene-3,4-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hexa-1,5-diene-3,4-dione?
Yes, CoreyChem provides custom synthesis services for Hexa-1,5-diene-3,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.