2,5-Dimethyl-2,5-dihydrooxepine-6-carbaldehyde
TL;DR: 2,5-Dimethyl-2,5-dihydrooxepine-6-carbaldehyde (CAS 148164-32-3) is a chemical compound with molecular formula C9H12O2 and molecular weight 152.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,5-dimethyl-2,5-dihydrooxepine-6-carbaldehyde
Also Known As: 4,7-dimethyl-4,7-dihydrooxepine-3-carbaldehyde
Technical Specifications
| Molecular Formula | C9H12O2 |
| Molecular Weight | 152.08372 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 152.08372 Da |
| Heavy Atoms | 11 |
| Complexity | 204.0 |
| SMILES | CC1C=CC(OC=C1C=O)C |
| InChIKey | IXSKTWMFVCOFEL-UHFFFAOYSA-N |
Chemical Property Profile of 2,5-Dimethyl-2,5-dihydrooxepine-6-carbaldehyde
Property Insights of 2,5-Dimethyl-2,5-dihydrooxepine-6-carbaldehyde
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dimethyl-2,5-dihydrooxepine-6-carbaldehyde. With a topological polar surface area (TPSA) of 26.3 Ų, 2,5-Dimethyl-2,5-dihydrooxepine-6-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dimethyl-2,5-dihydrooxepine-6-carbaldehyde 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 2,5-Dimethyl-2,5-dihydrooxepine-6-carbaldehyde?
The CAS number of 2,5-Dimethyl-2,5-dihydrooxepine-6-carbaldehyde is 148164-32-3.
What is the molecular formula of 2,5-Dimethyl-2,5-dihydrooxepine-6-carbaldehyde?
The molecular formula of 2,5-Dimethyl-2,5-dihydrooxepine-6-carbaldehyde is C9H12O2.
What is the molecular weight of 2,5-Dimethyl-2,5-dihydrooxepine-6-carbaldehyde?
The molecular weight of 2,5-Dimethyl-2,5-dihydrooxepine-6-carbaldehyde is 152.08372 g/mol.
Where can I buy 2,5-Dimethyl-2,5-dihydrooxepine-6-carbaldehyde?
You can request a quote for 2,5-Dimethyl-2,5-dihydrooxepine-6-carbaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,5-Dimethyl-2,5-dihydrooxepine-6-carbaldehyde?
Yes, CoreyChem provides custom synthesis services for 2,5-Dimethyl-2,5-dihydrooxepine-6-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.