5-Methyl-2-hepten-4-one (natural)
TL;DR: 5-Methyl-2-hepten-4-one (natural) (CAS 135910-94-0) 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.
5-methylhept-2-en-4-one
Also Known As: 5-methylhept-2-en-4-one, 5-Methyl-2-hepten-4-one, 2-Hepten-4-one, 5-methyl-, Benzyltrichloroacetimidate, FEMA No. 3761
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H14O |
| Molecular Weight | 126.10446 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 126.10446 Da |
| Heavy Atoms | 9 |
| Complexity | 114.0 |
| SMILES | CCC(C)C(=O)C=CC |
| InChIKey | ARJWAURHQDJJAC-UHFFFAOYSA-N |
Chemical Property Profile of 5-Methyl-2-hepten-4-one (natural)
Property Insights of 5-Methyl-2-hepten-4-one (natural)
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-2-hepten-4-one (natural). With a topological polar surface area (TPSA) of 17.1 Ų, 5-Methyl-2-hepten-4-one (natural) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-2-hepten-4-one (natural) 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 5-Methyl-2-hepten-4-one (natural)?
The CAS number of 5-Methyl-2-hepten-4-one (natural) is 135910-94-0.
What is the molecular formula of 5-Methyl-2-hepten-4-one (natural)?
The molecular formula of 5-Methyl-2-hepten-4-one (natural) is C8H14O.
What is the molecular weight of 5-Methyl-2-hepten-4-one (natural)?
The molecular weight of 5-Methyl-2-hepten-4-one (natural) is 126.10446 g/mol.
Where can I buy 5-Methyl-2-hepten-4-one (natural)?
You can request a quote for 5-Methyl-2-hepten-4-one (natural) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Methyl-2-hepten-4-one (natural)?
Yes, CoreyChem provides custom synthesis services for 5-Methyl-2-hepten-4-one (natural) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.