4-(1,1-Dimethylethyl)-1-ethynylcyclohexanol
TL;DR: 4-(1,1-Dimethylethyl)-1-ethynylcyclohexanol (CAS 20325-03-5) is a chemical compound with molecular formula C12H20O and molecular weight 180.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-1-ethynylcyclohexan-1-ol
Also Known As: 4-tert-Butyl-1-ethynylcyclohexanol, 4-tert-butyl-1-ethynylcyclohexan-1-ol, 1-Cyclohexanol, 4-tert-butyl-1-ethynyl-, Cyclohexanol, 4-tert-butyl-1-ethynyl-, 4-tert-butyl-1-ethynyl-cyclohexanol
| Molecular Formula | C12H20O |
|---|---|
| Molecular Weight | 180.15 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.15141 |
| Heavy Atoms | 13 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 20325-03-5 |
|---|---|
| SMILES | CC(C)(C)C1CCC(CC1)(C#C)O |
| InChIKey | BPCZRRZEJCLZEW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(1,1-Dimethylethyl)-1-ethynylcyclohexanol (CAS 20325-03-5), with molecular formula C12H20O and molecular weight 180.15 g/mol. IUPAC: 4-tert-butyl-1-ethynylcyclohexan-1-ol.
Chemical Property Profile of 4-(1,1-Dimethylethyl)-1-ethynylcyclohexanol
Property Insights of 4-(1,1-Dimethylethyl)-1-ethynylcyclohexanol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,1-Dimethylethyl)-1-ethynylcyclohexanol. With a topological polar surface area (TPSA) of 20.2 Ų, 4-(1,1-Dimethylethyl)-1-ethynylcyclohexanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,1-Dimethylethyl)-1-ethynylcyclohexanol 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 4-(1,1-Dimethylethyl)-1-ethynylcyclohexanol?
The CAS number of 4-(1,1-Dimethylethyl)-1-ethynylcyclohexanol is 20325-03-5.
What is the molecular formula of 4-(1,1-Dimethylethyl)-1-ethynylcyclohexanol?
The molecular formula of 4-(1,1-Dimethylethyl)-1-ethynylcyclohexanol is C12H20O.
What is the molecular weight of 4-(1,1-Dimethylethyl)-1-ethynylcyclohexanol?
The molecular weight of 4-(1,1-Dimethylethyl)-1-ethynylcyclohexanol is 180.15 g/mol.
Where can I buy 4-(1,1-Dimethylethyl)-1-ethynylcyclohexanol?
You can request a quote for 4-(1,1-Dimethylethyl)-1-ethynylcyclohexanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,1-Dimethylethyl)-1-ethynylcyclohexanol?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,1-Dimethylethyl)-1-ethynylcyclohexanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.