3-(2-Methylpropoxy)prop-2-enal
TL;DR: 3-(2-Methylpropoxy)prop-2-enal (CAS 91379-44-1) is a chemical compound with molecular formula C7H12O2 and molecular weight 128.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-methylpropoxy)prop-2-enal
Also Known As: 3-Isobutoxyacrolein, beta-Isobutoxyacrolein, ACROLEIN, 3-ISOBUTOXY-, 2-Propenal, 3-(2-methylpropoxy)-, 2-Propenal, 3-(2-methylpropoxy)-, (E)-
Technical Specifications
| Molecular Formula | C7H12O2 |
| Molecular Weight | 128.08372 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 128.08372 Da |
| Heavy Atoms | 9 |
| Complexity | 95.0 |
| SMILES | CC(C)COC=CC=O |
| InChIKey | VUQLHNVNMZMSHD-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2-Methylpropoxy)prop-2-enal
Property Insights of 3-(2-Methylpropoxy)prop-2-enal
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Methylpropoxy)prop-2-enal. With a topological polar surface area (TPSA) of 26.3 Ų, 3-(2-Methylpropoxy)prop-2-enal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Methylpropoxy)prop-2-enal 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 3-(2-Methylpropoxy)prop-2-enal?
The CAS number of 3-(2-Methylpropoxy)prop-2-enal is 91379-44-1.
What is the molecular formula of 3-(2-Methylpropoxy)prop-2-enal?
The molecular formula of 3-(2-Methylpropoxy)prop-2-enal is C7H12O2.
What is the molecular weight of 3-(2-Methylpropoxy)prop-2-enal?
The molecular weight of 3-(2-Methylpropoxy)prop-2-enal is 128.08372 g/mol.
Where can I buy 3-(2-Methylpropoxy)prop-2-enal?
You can request a quote for 3-(2-Methylpropoxy)prop-2-enal directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2-Methylpropoxy)prop-2-enal?
Yes, CoreyChem provides custom synthesis services for 3-(2-Methylpropoxy)prop-2-enal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.