Cyclohexanol, 1-ethynyl-, 1-acetate
TL;DR: Cyclohexanol, 1-ethynyl-, 1-acetate (CAS 5240-32-4) is a chemical compound with molecular formula C10H14O2 and molecular weight 166.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-ethynylcyclohexyl) acetate
Also Known As: 1-Ethynylcyclohexyl acetate, acorn acetate, 1-Acetoxy-1-ethynylcyclohexane, 1-Ethynylcyclohexanol acetate, (1-ethynylcyclohexyl) acetate
| Molecular Formula | C10H14O2 |
|---|---|
| Molecular Weight | 166.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.09938 |
| Heavy Atoms | 12 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 5240-32-4 |
|---|---|
| SMILES | CC(=O)OC1(CCCCC1)C#C |
| InChIKey | YASSLXHVJQGNOK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexanol, 1-ethynyl-, 1-acetate (CAS 5240-32-4), with molecular formula C10H14O2 and molecular weight 166.10 g/mol. IUPAC: (1-ethynylcyclohexyl) acetate.
Chemical Property Profile of Cyclohexanol, 1-ethynyl-, 1-acetate
Property Insights of Cyclohexanol, 1-ethynyl-, 1-acetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexanol, 1-ethynyl-, 1-acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Cyclohexanol, 1-ethynyl-, 1-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanol, 1-ethynyl-, 1-acetate has 0 hydrogen bond donor(s) and 2 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 Cyclohexanol, 1-ethynyl-, 1-acetate?
The CAS number of Cyclohexanol, 1-ethynyl-, 1-acetate is 5240-32-4.
What is the molecular formula of Cyclohexanol, 1-ethynyl-, 1-acetate?
The molecular formula of Cyclohexanol, 1-ethynyl-, 1-acetate is C10H14O2.
What is the molecular weight of Cyclohexanol, 1-ethynyl-, 1-acetate?
The molecular weight of Cyclohexanol, 1-ethynyl-, 1-acetate is 166.10 g/mol.
Where can I buy Cyclohexanol, 1-ethynyl-, 1-acetate?
You can request a quote for Cyclohexanol, 1-ethynyl-, 1-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanol, 1-ethynyl-, 1-acetate?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanol, 1-ethynyl-, 1-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.