1-Ethynyl-2-methylcyclohexanol
TL;DR: 1-Ethynyl-2-methylcyclohexanol (CAS 15564-30-4) 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-2-methylcyclohexan-1-ol
Also Known As: 1-ethynyl-2-methylcyclohexan-1-ol, 1-Ethynyl-2-methylcyclohexanol, 1-ETHYNYL-2-METHYL-CYCLOHEXANOL, Cyclohexanol, 1-ethynyl-2-methyl-, Cyclohexanol,1-ethynyl-2-methyl-
| Molecular Formula | C9H14O |
|---|---|
| Molecular Weight | 138.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.10446 |
| Heavy Atoms | 10 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 15564-30-4 |
|---|---|
| SMILES | CC1CCCCC1(C#C)O |
| InChIKey | PMCQAVDMFZFUEH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Ethynyl-2-methylcyclohexanol (CAS 15564-30-4), with molecular formula C9H14O and molecular weight 138.10 g/mol. IUPAC: 1-ethynyl-2-methylcyclohexan-1-ol.
Chemical Property Profile of 1-Ethynyl-2-methylcyclohexanol
Property Insights of 1-Ethynyl-2-methylcyclohexanol
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethynyl-2-methylcyclohexanol. With a topological polar surface area (TPSA) of 20.2 Ų, 1-Ethynyl-2-methylcyclohexanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethynyl-2-methylcyclohexanol 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 1-Ethynyl-2-methylcyclohexanol?
The CAS number of 1-Ethynyl-2-methylcyclohexanol is 15564-30-4.
What is the molecular formula of 1-Ethynyl-2-methylcyclohexanol?
The molecular formula of 1-Ethynyl-2-methylcyclohexanol is C9H14O.
What is the molecular weight of 1-Ethynyl-2-methylcyclohexanol?
The molecular weight of 1-Ethynyl-2-methylcyclohexanol is 138.10 g/mol.
Where can I buy 1-Ethynyl-2-methylcyclohexanol?
You can request a quote for 1-Ethynyl-2-methylcyclohexanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethynyl-2-methylcyclohexanol?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethynyl-2-methylcyclohexanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.