2,2,5-Trimethylhex-4-enal
TL;DR: 2,2,5-Trimethylhex-4-enal (CAS 1000-30-2) is a chemical compound with molecular formula C9H16O and molecular weight 140.12012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2,5-trimethylhex-4-enal
Also Known As: 2,2,5-Trimethylhex-4-enal, 4-Hexenal, 2,2,5-trimethyl-, 2,2,5-trimethyl-4-hexenal, 4-Hexenal,2,2,5-trimethyl-, 4-Hexenal,2,2,5-trimethyl
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H16O |
| Molecular Weight | 140.12012 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 140.12012 Da |
| Heavy Atoms | 10 |
| Complexity | 139.0 |
| SMILES | CC(=CCC(C)(C)C=O)C |
| InChIKey | TVJYZLLDEHOCJE-UHFFFAOYSA-N |
Product Description
Applications: 2,2,5-Trimethylhex-4-enal is used in pharmaceutical synthesis routes and API production, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2,2,5-Trimethylhex-4-enal (CAS 1000-30-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
2,2,5-Trimethylhex-4-enal (CAS 1000-30-2) is a pharmaceutical intermediate with the molecular formula C9H16O and a molecular weight of 140.12 g/mol. It is also known as 2,2,5-Trimethylhex-4-enal and 4-Hexenal, 2,2,5-trimethyl-.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 2,2,5-Trimethylhex-4-enal
Property Insights of 2,2,5-Trimethylhex-4-enal
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,5-Trimethylhex-4-enal. With a topological polar surface area (TPSA) of 17.1 Ų, 2,2,5-Trimethylhex-4-enal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,5-Trimethylhex-4-enal has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,2,5-Trimethylhex-4-enal?
The CAS number of 2,2,5-Trimethylhex-4-enal is 1000-30-2.
What is the molecular formula of 2,2,5-Trimethylhex-4-enal?
The molecular formula of 2,2,5-Trimethylhex-4-enal is C9H16O.
What is the molecular weight of 2,2,5-Trimethylhex-4-enal?
The molecular weight of 2,2,5-Trimethylhex-4-enal is 140.12012 g/mol.
What are the applications of 2,2,5-Trimethylhex-4-enal?
2,2,5-Trimethylhex-4-enal is used in pharmaceutical synthesis routes and API production, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2,2,5-Trimethylhex-4-enal (CAS...
Where can I buy 2,2,5-Trimethylhex-4-enal?
You can request a quote for 2,2,5-Trimethylhex-4-enal directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,2,5-Trimethylhex-4-enal?
Yes, CoreyChem provides custom synthesis services for 2,2,5-Trimethylhex-4-enal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.