1-Ethynyl-1-methoxycyclohexane
TL;DR: 1-Ethynyl-1-methoxycyclohexane (CAS 5240-36-8) is a chemical compound with molecular formula C9H14O and molecular weight 138.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethynyl-1-methoxycyclohexane
Also Known As: 1-Ethynyl-1-methoxycyclohexane, Cyclohexane, 1-ethynyl-1-methoxy-, 1-ethynyl-1-methoxy-cyclohexane, (1-Methoxycyclohexyl)acetylene, 1-ethynylcyclohexyl methyl ether
| Molecular Formula | C9H14O |
|---|---|
| Molecular Weight | 138.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 138.10446 |
| Heavy Atoms | 10 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 5240-36-8 |
|---|---|
| SMILES | COC1(CCCCC1)C#C |
| InChIKey | XIAIXPAXBPDAQZ-UHFFFAOYSA-N |
Product Overview
1-Ethynyl-1-methoxycyclohexane (CAS 5240-36-8), with molecular formula C9H14O and molecular weight 138.10 g/mol. IUPAC: 1-ethynyl-1-methoxycyclohexane.
Chemical Property Profile of 1-Ethynyl-1-methoxycyclohexane
Property Insights of 1-Ethynyl-1-methoxycyclohexane
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethynyl-1-methoxycyclohexane. With a topological polar surface area (TPSA) of 9.2 Ų, 1-Ethynyl-1-methoxycyclohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethynyl-1-methoxycyclohexane 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 1-Ethynyl-1-methoxycyclohexane?
The CAS number of 1-Ethynyl-1-methoxycyclohexane is 5240-36-8.
What is the molecular formula of 1-Ethynyl-1-methoxycyclohexane?
The molecular formula of 1-Ethynyl-1-methoxycyclohexane is C9H14O.
What is the molecular weight of 1-Ethynyl-1-methoxycyclohexane?
The molecular weight of 1-Ethynyl-1-methoxycyclohexane is 138.10 g/mol.
Where can I buy 1-Ethynyl-1-methoxycyclohexane?
You can request a quote for 1-Ethynyl-1-methoxycyclohexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethynyl-1-methoxycyclohexane?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethynyl-1-methoxycyclohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.