6-Methylheptanal
TL;DR: 6-Methylheptanal (CAS 63885-09-6) is a chemical compound with molecular formula C8H16O and molecular weight 128.12012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-methylheptanal
Also Known As: 6-Methylheptanal, Isooctan-1-al, 6-Methyl heptanal, Isocaprylic aldehyde, Isooctanal
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H16O |
| Molecular Weight | 128.12012 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 128.12012 Da |
| Heavy Atoms | 9 |
| Complexity | 67.0 |
| Density | 0.806-0.816 |
| Refractive Index | 1.411-1.416 |
| Solubility | Practically insoluble to insoluble in water |
| SMILES | CC(C)CCCCC=O |
| InChIKey | LCEHKIHBHIJPCD-UHFFFAOYSA-N |
Chemical Property Profile of 6-Methylheptanal
Property Insights of 6-Methylheptanal
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methylheptanal. With a topological polar surface area (TPSA) of 17.1 Ų, 6-Methylheptanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methylheptanal 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 6-Methylheptanal?
The CAS number of 6-Methylheptanal is 63885-09-6.
What is the molecular formula of 6-Methylheptanal?
The molecular formula of 6-Methylheptanal is C8H16O.
What is the molecular weight of 6-Methylheptanal?
The molecular weight of 6-Methylheptanal is 128.12012 g/mol.
Where can I buy 6-Methylheptanal?
You can request a quote for 6-Methylheptanal directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Methylheptanal?
Yes, CoreyChem provides custom synthesis services for 6-Methylheptanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.