5-Methyl-2-phenylhex-2-enal
TL;DR: 5-Methyl-2-phenylhex-2-enal (CAS 131020-57-0) is a chemical compound with molecular formula C13H16O and molecular weight 188.12012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methyl-2-phenylhex-2-enal
Also Known As: 5-Methyl-2-phenyl-2-hexenal, 5-Methyl-2-phenylhex-2-enal, 5-methyl-2-phenyl-hex-2-enal, 5-Methyl-2-Phenyl 2 Hexenal, (E)-5-methyl-2-phenylhex-2-enal
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H16O |
| Molecular Weight | 188.12012 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 188.12012 Da |
| Heavy Atoms | 14 |
| Complexity | 197.0 |
| SMILES | CC(C)CC=C(C=O)C1=CC=CC=C1 |
| InChIKey | YURDCJXYOLERLO-UHFFFAOYSA-N |
Chemical Property Profile of 5-Methyl-2-phenylhex-2-enal
Property Insights of 5-Methyl-2-phenylhex-2-enal
The XLogP value of 3.4 indicates that 5-Methyl-2-phenylhex-2-enal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 5-Methyl-2-phenylhex-2-enal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-2-phenylhex-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 5-Methyl-2-phenylhex-2-enal?
The CAS number of 5-Methyl-2-phenylhex-2-enal is 131020-57-0.
What is the molecular formula of 5-Methyl-2-phenylhex-2-enal?
The molecular formula of 5-Methyl-2-phenylhex-2-enal is C13H16O.
What is the molecular weight of 5-Methyl-2-phenylhex-2-enal?
The molecular weight of 5-Methyl-2-phenylhex-2-enal is 188.12012 g/mol.
Where can I buy 5-Methyl-2-phenylhex-2-enal?
You can request a quote for 5-Methyl-2-phenylhex-2-enal directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Methyl-2-phenylhex-2-enal?
Yes, CoreyChem provides custom synthesis services for 5-Methyl-2-phenylhex-2-enal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.