2,5-Cyclooctadien-1-one
TL;DR: 2,5-Cyclooctadien-1-one (CAS 10061-05-9) is a chemical compound with molecular formula C8H10O and molecular weight 122.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z,5Z)-cycloocta-2,5-dien-1-one
Also Known As: 2,5-Cyclooctadien-1-one, cycloocta-4,7-dien-3-one, (2Z,5Z)-cycloocta-2,5-dien-1-one
| Molecular Formula | C8H10O |
|---|---|
| Molecular Weight | 122.07 g/mol |
| LogP | 1.8518 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 122.073166 |
| Heavy Atoms | 9 |
| Complexity | 153.95058 |
Chemical Identifiers
| CAS Number | 10061-05-9 |
|---|---|
| SMILES | C/1CC(=O)/C=C\C/C=C1 |
Product Overview
2,5-Cyclooctadien-1-one (CAS 10061-05-9), with molecular formula C8H10O and molecular weight 122.07 g/mol. IUPAC: (2Z,5Z)-cycloocta-2,5-dien-1-one.
Chemical Property Profile of 2,5-Cyclooctadien-1-one
Property Insights of 2,5-Cyclooctadien-1-one
The XLogP value of 1.8518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Cyclooctadien-1-one. With a topological polar surface area (TPSA) of 17.07 Ų, 2,5-Cyclooctadien-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Cyclooctadien-1-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
Frequently Asked Questions
What is the CAS number of 2,5-Cyclooctadien-1-one?
The CAS number of 2,5-Cyclooctadien-1-one is 10061-05-9.
What is the molecular formula of 2,5-Cyclooctadien-1-one?
The molecular formula of 2,5-Cyclooctadien-1-one is C8H10O.
What is the molecular weight of 2,5-Cyclooctadien-1-one?
The molecular weight of 2,5-Cyclooctadien-1-one is 122.07 g/mol.
Where can I buy 2,5-Cyclooctadien-1-one?
You can request a quote for 2,5-Cyclooctadien-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Cyclooctadien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Cyclooctadien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.