Cyclooctanol, 1-ethynyl-
TL;DR: Cyclooctanol, 1-ethynyl- (CAS 56966-62-2) is a chemical compound with molecular formula C#CC1(CCCCCCC1)O and molecular weight 152.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethynylcyclooctan-1-ol
Also Known As: Cyclooctanol, 1-ethynyl-, 1-Ethynylcyclooctanol, 1-ethynylcyclooctan-1-ol, 1-Ethynyl-1-cyclooctanol, 1-Aethinyl-cyclooctanol-(1)
| Molecular Formula | C#CC1(CCCCCCC1)O |
|---|---|
| Molecular Weight | 152.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 152.12012 |
| Heavy Atoms | 11 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 56966-62-2 |
|---|---|
| SMILES | C#CC1(CCCCCCC1)O |
| InChIKey | DHAPUKCAOFQTIT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclooctanol, 1-ethynyl- (CAS 56966-62-2), with molecular formula C#CC1(CCCCCCC1)O and molecular weight 152.12 g/mol. IUPAC: 1-ethynylcyclooctan-1-ol.
Chemical Property Profile of Cyclooctanol, 1-ethynyl-
Property Insights of Cyclooctanol, 1-ethynyl-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclooctanol, 1-ethynyl-. With a topological polar surface area (TPSA) of 20.2 Ų, Cyclooctanol, 1-ethynyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclooctanol, 1-ethynyl- has 1 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 Cyclooctanol, 1-ethynyl-?
The CAS number of Cyclooctanol, 1-ethynyl- is 56966-62-2.
What is the molecular formula of Cyclooctanol, 1-ethynyl-?
The molecular formula of Cyclooctanol, 1-ethynyl- is C#CC1(CCCCCCC1)O.
What is the molecular weight of Cyclooctanol, 1-ethynyl-?
The molecular weight of Cyclooctanol, 1-ethynyl- is 152.12 g/mol.
Where can I buy Cyclooctanol, 1-ethynyl-?
You can request a quote for Cyclooctanol, 1-ethynyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclooctanol, 1-ethynyl-?
Yes, KEHONG BIO provides custom synthesis services for Cyclooctanol, 1-ethynyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.