Cyclohexanol, 1-ethynyl-2-(1-methylpropyl)-
TL;DR: Cyclohexanol, 1-ethynyl-2-(1-methylpropyl)- (CAS 42135-35-3) 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.
2-butan-2-yl-1-ethynylcyclohexan-1-ol
Also Known As: 2-sec-Butyl-1-ethynylcyclohexanol, Cyclohexanol, 1-ethynyl-2-(1-methylpropyl)-, 1-ethynyl-2- cyclohexan-1-ol, 2-butan-2-yl-1-ethynylcyclohexan-1-ol, 2-(butan-2-yl)-1-ethynylcyclohexan-1-ol
| Molecular Formula | C12H20O |
|---|---|
| Molecular Weight | 180.15 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.15141 |
| Heavy Atoms | 13 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 42135-35-3 |
|---|---|
| SMILES | CCC(C)C1CCCCC1(C#C)O |
| InChIKey | NETONJQRBNZZHO-UHFFFAOYSA-N |
Product Overview
Cyclohexanol, 1-ethynyl-2-(1-methylpropyl)- (CAS 42135-35-3), with molecular formula C12H20O and molecular weight 180.15 g/mol. IUPAC: 2-butan-2-yl-1-ethynylcyclohexan-1-ol.
Chemical Property Profile of Cyclohexanol, 1-ethynyl-2-(1-methylpropyl)-
Property Insights of Cyclohexanol, 1-ethynyl-2-(1-methylpropyl)-
The XLogP value of 3.0 indicates that Cyclohexanol, 1-ethynyl-2-(1-methylpropyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, Cyclohexanol, 1-ethynyl-2-(1-methylpropyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanol, 1-ethynyl-2-(1-methylpropyl)- 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 Cyclohexanol, 1-ethynyl-2-(1-methylpropyl)-?
The CAS number of Cyclohexanol, 1-ethynyl-2-(1-methylpropyl)- is 42135-35-3.
What is the molecular formula of Cyclohexanol, 1-ethynyl-2-(1-methylpropyl)-?
The molecular formula of Cyclohexanol, 1-ethynyl-2-(1-methylpropyl)- is C12H20O.
What is the molecular weight of Cyclohexanol, 1-ethynyl-2-(1-methylpropyl)-?
The molecular weight of Cyclohexanol, 1-ethynyl-2-(1-methylpropyl)- is 180.15 g/mol.
Where can I buy Cyclohexanol, 1-ethynyl-2-(1-methylpropyl)-?
You can request a quote for Cyclohexanol, 1-ethynyl-2-(1-methylpropyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanol, 1-ethynyl-2-(1-methylpropyl)-?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanol, 1-ethynyl-2-(1-methylpropyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.