3-Hepten-2-one, 5-ethyl-
TL;DR: 3-Hepten-2-one, 5-ethyl- (CAS 71648-42-5) 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.
5-ethylhept-3-en-2-one
Also Known As: 5-ethylhept-3-en-2-one, 3-Hepten-2-one, 5-ethyl-, 5-Ethyl-3-hepten-2-one, (Z)-5-ethylhept-3-en-2-one, NSC 82314
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H16O |
| Molecular Weight | 140.12012 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 140.12012 Da |
| Heavy Atoms | 10 |
| Complexity | 121.0 |
| SMILES | CCC(CC)C=CC(=O)C |
| InChIKey | MTNXTOAQNAWJRM-UHFFFAOYSA-N |
Chemical Property Profile of 3-Hepten-2-one, 5-ethyl-
Property Insights of 3-Hepten-2-one, 5-ethyl-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hepten-2-one, 5-ethyl-. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Hepten-2-one, 5-ethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hepten-2-one, 5-ethyl- 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 3-Hepten-2-one, 5-ethyl-?
The CAS number of 3-Hepten-2-one, 5-ethyl- is 71648-42-5.
What is the molecular formula of 3-Hepten-2-one, 5-ethyl-?
The molecular formula of 3-Hepten-2-one, 5-ethyl- is C9H16O.
What is the molecular weight of 3-Hepten-2-one, 5-ethyl-?
The molecular weight of 3-Hepten-2-one, 5-ethyl- is 140.12012 g/mol.
Where can I buy 3-Hepten-2-one, 5-ethyl-?
You can request a quote for 3-Hepten-2-one, 5-ethyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Hepten-2-one, 5-ethyl-?
Yes, CoreyChem provides custom synthesis services for 3-Hepten-2-one, 5-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.