2,6-Dimethyl-2-hepten-4-one
TL;DR: 2,6-Dimethyl-2-hepten-4-one (CAS 16525-05-6) is a chemical compound with molecular formula C9H16O and molecular weight 140.12012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6-dimethylhept-2-en-4-one
Also Known As: 2,6-dimethylhept-2-en-4-one, 2,6-DIMETHYL-2-HEPTEN-4-ONE, 2,6-Dimethyl-2-heptene-4-one, 2-Hepten-4-one, 2,6-dimethyl-, J1.550.685G
Technical Specifications
| Molecular Formula | C9H16O |
| Molecular Weight | 140.12012 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 140.12012 Da |
| Heavy Atoms | 10 |
| Complexity | 139.0 |
| SMILES | CC(C)CC(=O)C=C(C)C |
| InChIKey | BHVIOAZXXVWBGQ-UHFFFAOYSA-N |
Chemical Property Profile of 2,6-Dimethyl-2-hepten-4-one
Property Insights of 2,6-Dimethyl-2-hepten-4-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Dimethyl-2-hepten-4-one. With a topological polar surface area (TPSA) of 17.1 Ų, 2,6-Dimethyl-2-hepten-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dimethyl-2-hepten-4-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 2,6-Dimethyl-2-hepten-4-one?
The CAS number of 2,6-Dimethyl-2-hepten-4-one is 16525-05-6.
What is the molecular formula of 2,6-Dimethyl-2-hepten-4-one?
The molecular formula of 2,6-Dimethyl-2-hepten-4-one is C9H16O.
What is the molecular weight of 2,6-Dimethyl-2-hepten-4-one?
The molecular weight of 2,6-Dimethyl-2-hepten-4-one is 140.12012 g/mol.
Where can I buy 2,6-Dimethyl-2-hepten-4-one?
You can request a quote for 2,6-Dimethyl-2-hepten-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,6-Dimethyl-2-hepten-4-one?
Yes, CoreyChem provides custom synthesis services for 2,6-Dimethyl-2-hepten-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.