6-Methyl-4,5-heptadien-2-one
TL;DR: 6-Methyl-4,5-heptadien-2-one (CAS 16647-01-1) is a chemical compound with molecular formula C8H12O and molecular weight 124.08881 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-methylhepta-4,5-dien-2-one
Also Known As: 6-methyl-4,5-heptadien-2-one, 6-methylhepta-4,5-dien-2-one, 6-methyl-hepta-4,5-dien-2-one, 4,5-Heptadien-2-one, 6-methyl-
Technical Specifications
| Molecular Formula | C8H12O |
| Molecular Weight | 124.08881 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 124.08881 Da |
| Heavy Atoms | 9 |
| Complexity | 155.0 |
| SMILES | CC(=C=CCC(=O)C)C |
| InChIKey | HVTJTPGLVGKGRS-UHFFFAOYSA-N |
Chemical Property Profile of 6-Methyl-4,5-heptadien-2-one
Property Insights of 6-Methyl-4,5-heptadien-2-one
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methyl-4,5-heptadien-2-one. With a topological polar surface area (TPSA) of 17.1 Ų, 6-Methyl-4,5-heptadien-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methyl-4,5-heptadien-2-one 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-Methyl-4,5-heptadien-2-one?
The CAS number of 6-Methyl-4,5-heptadien-2-one is 16647-01-1.
What is the molecular formula of 6-Methyl-4,5-heptadien-2-one?
The molecular formula of 6-Methyl-4,5-heptadien-2-one is C8H12O.
What is the molecular weight of 6-Methyl-4,5-heptadien-2-one?
The molecular weight of 6-Methyl-4,5-heptadien-2-one is 124.08881 g/mol.
Where can I buy 6-Methyl-4,5-heptadien-2-one?
You can request a quote for 6-Methyl-4,5-heptadien-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Methyl-4,5-heptadien-2-one?
Yes, CoreyChem provides custom synthesis services for 6-Methyl-4,5-heptadien-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.