Cyclooctanone
TL;DR: Cyclooctanone (CAS 502-49-8) 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.
cyclooctanone
Also Known As: CYCLOOCTANONE, cyclooctan-1-one, Azelaone, cyclooctanon, cyclooctyloxy
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H14O |
| Molecular Weight | 126.10446 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.10446 Da |
| Heavy Atoms | 9 |
| Complexity | 86.0 |
| SMILES | C1CCCC(=O)CCC1 |
| InChIKey | IIRFCWANHMSDCG-UHFFFAOYSA-N |
Product Description
Applications: Cyclooctanone is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Cyclooctanone is a organic building block identified by CAS number 502-49-8 and the molecular formula C8H14O and a molecular weight of 126.1 g/mol. Synonyms include CYCLOOCTANONE and cyclooctan-1-one.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Cyclooctanone
Property Insights of Cyclooctanone
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclooctanone. With a topological polar surface area (TPSA) of 17.1 Ų, Cyclooctanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclooctanone 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 Cyclooctanone?
The CAS number of Cyclooctanone is 502-49-8.
What is the molecular formula of Cyclooctanone?
The molecular formula of Cyclooctanone is C8H14O.
What is the molecular weight of Cyclooctanone?
The molecular weight of Cyclooctanone is 126.10446 g/mol.
What are the applications of Cyclooctanone?
Cyclooctanone is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both...
Where can I buy Cyclooctanone?
You can request a quote for Cyclooctanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cyclooctanone?
Yes, CoreyChem provides custom synthesis services for Cyclooctanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.