2,7-Dimethylocta-2,4,6-trienedial
TL;DR: 2,7-Dimethylocta-2,4,6-trienedial (CAS 5056-17-7) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,7-dimethylocta-2,4,6-trienedial
Also Known As: 2,7-dimethylocta-2,4,6-trienedial, 2,7-dimethyloctatrienedial, (2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedial, 2,7-dimethyl-2,4,6-octatrienedial, 2,4,6-Octatrienedial, 2,7-dimethyl-
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H12O2 |
| Molecular Weight | 164.08372 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 164.08372 Da |
| Heavy Atoms | 12 |
| Complexity | 219.0 |
| SMILES | CC(=CC=CC=C(C)C=O)C=O |
| InChIKey | AYODHZHFDRRQEZ-UHFFFAOYSA-N |
Chemical Property Profile of 2,7-Dimethylocta-2,4,6-trienedial
Property Insights of 2,7-Dimethylocta-2,4,6-trienedial
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,7-Dimethylocta-2,4,6-trienedial. With a topological polar surface area (TPSA) of 34.1 Ų, 2,7-Dimethylocta-2,4,6-trienedial exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,7-Dimethylocta-2,4,6-trienedial 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 2,7-Dimethylocta-2,4,6-trienedial?
The CAS number of 2,7-Dimethylocta-2,4,6-trienedial is 5056-17-7.
What is the molecular formula of 2,7-Dimethylocta-2,4,6-trienedial?
The molecular formula of 2,7-Dimethylocta-2,4,6-trienedial is C10H12O2.
What is the molecular weight of 2,7-Dimethylocta-2,4,6-trienedial?
The molecular weight of 2,7-Dimethylocta-2,4,6-trienedial is 164.08372 g/mol.
Where can I buy 2,7-Dimethylocta-2,4,6-trienedial?
You can request a quote for 2,7-Dimethylocta-2,4,6-trienedial directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,7-Dimethylocta-2,4,6-trienedial?
Yes, CoreyChem provides custom synthesis services for 2,7-Dimethylocta-2,4,6-trienedial and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.