2-Isopropyl-5-oxohexanal
TL;DR: 2-Isopropyl-5-oxohexanal (CAS 15303-46-5) is a chemical compound with molecular formula C9H16O2 and molecular weight 156.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-oxo-2-propan-2-ylhexanal
Also Known As: 2-Isopropyl-5-oxohexanal, 5-oxo-2-propan-2-ylhexanal, 5-oxo-2-isopropylhexanal, starbld0004636, 5-oxo-2-(propan-2-yl)hexanal
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H16O2 |
| Molecular Weight | 156.11504 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 156.11504 Da |
| Heavy Atoms | 11 |
| Complexity | 138.0 |
| SMILES | CC(C)C(CCC(=O)C)C=O |
| InChIKey | JUZXYQBZHRMZNQ-UHFFFAOYSA-N |
Chemical Property Profile of 2-Isopropyl-5-oxohexanal
Property Insights of 2-Isopropyl-5-oxohexanal
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isopropyl-5-oxohexanal. With a topological polar surface area (TPSA) of 34.1 Ų, 2-Isopropyl-5-oxohexanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isopropyl-5-oxohexanal 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-Isopropyl-5-oxohexanal?
The CAS number of 2-Isopropyl-5-oxohexanal is 15303-46-5.
What is the molecular formula of 2-Isopropyl-5-oxohexanal?
The molecular formula of 2-Isopropyl-5-oxohexanal is C9H16O2.
What is the molecular weight of 2-Isopropyl-5-oxohexanal?
The molecular weight of 2-Isopropyl-5-oxohexanal is 156.11504 g/mol.
Where can I buy 2-Isopropyl-5-oxohexanal?
You can request a quote for 2-Isopropyl-5-oxohexanal directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Isopropyl-5-oxohexanal?
Yes, CoreyChem provides custom synthesis services for 2-Isopropyl-5-oxohexanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.