1,1'-Ethynylenedicyclohexanol
TL;DR: 1,1'-Ethynylenedicyclohexanol (CAS 78-54-6) is a chemical compound with molecular formula C14H22O2 and molecular weight 222.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(1-hydroxycyclohexyl)ethynyl]cyclohexan-1-ol
Also Known As: 1,1'-Ethynylenedicyclohexanol, 1,1-ethynylenedicyclohexanol, Bis(1-hydroxycyclohexyl)acetylene, Cyclohexanol, 1,1'-ethynylenedi-, 1,1'-Ethylenebiscyclohexanol
| Molecular Formula | C14H22O2 |
|---|---|
| Molecular Weight | 222.16 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.16199 |
| Heavy Atoms | 16 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 78-54-6 |
|---|---|
| SMILES | C1CCC(CC1)(C#CC2(CCCCC2)O)O |
| InChIKey | YMAIXWWPLZFJLA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1'-Ethynylenedicyclohexanol (CAS 78-54-6), with molecular formula C14H22O2 and molecular weight 222.16 g/mol. IUPAC: 1-[2-(1-hydroxycyclohexyl)ethynyl]cyclohexan-1-ol.
Chemical Property Profile of 1,1'-Ethynylenedicyclohexanol
Property Insights of 1,1'-Ethynylenedicyclohexanol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1'-Ethynylenedicyclohexanol. With a topological polar surface area (TPSA) of 40.5 Ų, 1,1'-Ethynylenedicyclohexanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1'-Ethynylenedicyclohexanol has 2 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 1,1'-Ethynylenedicyclohexanol?
The CAS number of 1,1'-Ethynylenedicyclohexanol is 78-54-6.
What is the molecular formula of 1,1'-Ethynylenedicyclohexanol?
The molecular formula of 1,1'-Ethynylenedicyclohexanol is C14H22O2.
What is the molecular weight of 1,1'-Ethynylenedicyclohexanol?
The molecular weight of 1,1'-Ethynylenedicyclohexanol is 222.16 g/mol.
Where can I buy 1,1'-Ethynylenedicyclohexanol?
You can request a quote for 1,1'-Ethynylenedicyclohexanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-Ethynylenedicyclohexanol?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-Ethynylenedicyclohexanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.