rel-(1R,2S)-2-(1,1-Dimethylethyl)cyclohexanol
TL;DR: rel-(1R,2S)-2-(1,1-Dimethylethyl)cyclohexanol (CAS 98104-30-4) is a chemical compound with molecular formula C10H20O and molecular weight 156.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-(1R,2S)-2-tert-butylcyclohexan-1-ol
Also Known As: trans-2-tert-Butylcyclohexan-1-ol, trans-2-tert-Butylcyclohexanol, (1R,2S)-2-tert-butylcyclohexan-1-ol, 2-tert-Butylcyclohexanol, trans-, trans-2-t-butylcyclohexanol
| Molecular Formula | C10H20O |
|---|---|
| Molecular Weight | 156.15 g/mol |
| LogP | 2.5836 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 156.15141 |
| Heavy Atoms | 11 |
| Complexity | 123.32469 |
Chemical Identifiers
| CAS Number | 98104-30-4 |
|---|---|
| SMILES | CC(C)(C)[C@@H]1CCCC[C@H]1O |
Product Overview
rel-(1R,2S)-2-(1,1-Dimethylethyl)cyclohexanol (CAS 98104-30-4), with molecular formula C10H20O and molecular weight 156.15 g/mol. IUPAC: trans-(1R,2S)-2-tert-butylcyclohexan-1-ol.
Chemical Property Profile of rel-(1R,2S)-2-(1,1-Dimethylethyl)cyclohexanol
Property Insights of rel-(1R,2S)-2-(1,1-Dimethylethyl)cyclohexanol
The XLogP value of 2.5836 suggests moderate lipophilicity, balancing water solubility and membrane permeability for rel-(1R,2S)-2-(1,1-Dimethylethyl)cyclohexanol. With a topological polar surface area (TPSA) of 20.23 Ų, rel-(1R,2S)-2-(1,1-Dimethylethyl)cyclohexanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, rel-(1R,2S)-2-(1,1-Dimethylethyl)cyclohexanol 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 rel-(1R,2S)-2-(1,1-Dimethylethyl)cyclohexanol?
The CAS number of rel-(1R,2S)-2-(1,1-Dimethylethyl)cyclohexanol is 98104-30-4.
What is the molecular formula of rel-(1R,2S)-2-(1,1-Dimethylethyl)cyclohexanol?
The molecular formula of rel-(1R,2S)-2-(1,1-Dimethylethyl)cyclohexanol is C10H20O.
What is the molecular weight of rel-(1R,2S)-2-(1,1-Dimethylethyl)cyclohexanol?
The molecular weight of rel-(1R,2S)-2-(1,1-Dimethylethyl)cyclohexanol is 156.15 g/mol.
Where can I buy rel-(1R,2S)-2-(1,1-Dimethylethyl)cyclohexanol?
You can request a quote for rel-(1R,2S)-2-(1,1-Dimethylethyl)cyclohexanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for rel-(1R,2S)-2-(1,1-Dimethylethyl)cyclohexanol?
Yes, KEHONG BIO provides custom synthesis services for rel-(1R,2S)-2-(1,1-Dimethylethyl)cyclohexanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.