3,4,4-Trimethylpent-2-enal
TL;DR: 3,4,4-Trimethylpent-2-enal (CAS 144562-22-1) is a chemical compound with molecular formula C8H14O and molecular weight 126.10446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4,4-trimethylpent-2-enal
Also Known As: 3,4,4-trimethylpent-2-enal, 3,4,4-trimethyl-pent-2-enal, 2-Pentenal,3,4,4-trimethyl-,(2E), 2-Pentenal, 3,4,4-trimethyl-, (2E)-
Technical Specifications
| Molecular Formula | C8H14O |
| Molecular Weight | 126.10446 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 126.10446 Da |
| Heavy Atoms | 9 |
| Complexity | 126.0 |
| SMILES | CC(=CC=O)C(C)(C)C |
| InChIKey | RJURJJIOVZPPRR-UHFFFAOYSA-N |
Chemical Property Profile of 3,4,4-Trimethylpent-2-enal
Property Insights of 3,4,4-Trimethylpent-2-enal
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,4-Trimethylpent-2-enal. With a topological polar surface area (TPSA) of 17.1 Ų, 3,4,4-Trimethylpent-2-enal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,4-Trimethylpent-2-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 3,4,4-Trimethylpent-2-enal?
The CAS number of 3,4,4-Trimethylpent-2-enal is 144562-22-1.
What is the molecular formula of 3,4,4-Trimethylpent-2-enal?
The molecular formula of 3,4,4-Trimethylpent-2-enal is C8H14O.
What is the molecular weight of 3,4,4-Trimethylpent-2-enal?
The molecular weight of 3,4,4-Trimethylpent-2-enal is 126.10446 g/mol.
Where can I buy 3,4,4-Trimethylpent-2-enal?
You can request a quote for 3,4,4-Trimethylpent-2-enal directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4,4-Trimethylpent-2-enal?
Yes, CoreyChem provides custom synthesis services for 3,4,4-Trimethylpent-2-enal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.