4-Methyl-6-hepten-3-one
TL;DR: 4-Methyl-6-hepten-3-one (CAS 26118-97-8) is a chemical compound with molecular formula C8H14O and molecular weight 126.10446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methylhept-6-en-3-one
Also Known As: 4-Methyl-6-hepten-3-one, 4-methylhept-6-en-3-one, 4-Methyl-1-hepten-5-one, 6-Hepten-3-one, 4-methyl-, 4-Methyl-6-hepten-3-one #
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H14O |
| Molecular Weight | 126.10446 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 126.10446 Da |
| Heavy Atoms | 9 |
| Complexity | 105.0 |
| SMILES | CCC(=O)C(C)CC=C |
| InChIKey | AOXNCUPDNCMHRX-UHFFFAOYSA-N |
Chemical Property Profile of 4-Methyl-6-hepten-3-one
Property Insights of 4-Methyl-6-hepten-3-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-6-hepten-3-one. With a topological polar surface area (TPSA) of 17.1 Ų, 4-Methyl-6-hepten-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-6-hepten-3-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 4-Methyl-6-hepten-3-one?
The CAS number of 4-Methyl-6-hepten-3-one is 26118-97-8.
What is the molecular formula of 4-Methyl-6-hepten-3-one?
The molecular formula of 4-Methyl-6-hepten-3-one is C8H14O.
What is the molecular weight of 4-Methyl-6-hepten-3-one?
The molecular weight of 4-Methyl-6-hepten-3-one is 126.10446 g/mol.
Where can I buy 4-Methyl-6-hepten-3-one?
You can request a quote for 4-Methyl-6-hepten-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Methyl-6-hepten-3-one?
Yes, CoreyChem provides custom synthesis services for 4-Methyl-6-hepten-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.