1-Cyclohexyl-2-methylbut-3-yn-2-ol
TL;DR: 1-Cyclohexyl-2-methylbut-3-yn-2-ol (CAS 10579-65-4) is a chemical compound with molecular formula C11H18O and molecular weight 166.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclohexyl-2-methylbut-3-yn-2-ol
Also Known As: 1-cyclohexyl-2-methylbut-3-yn-2-ol, Cyclohexaneethanol, a-ethynyl-a-methyl-
| Molecular Formula | C11H18O |
|---|---|
| Molecular Weight | 166.14 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 | 166.13577 |
| Heavy Atoms | 12 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 10579-65-4 |
|---|---|
| SMILES | CC(CC1CCCCC1)(C#C)O |
| InChIKey | RRNGHMGNTNAULY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Cyclohexyl-2-methylbut-3-yn-2-ol (CAS 10579-65-4), with molecular formula C11H18O and molecular weight 166.14 g/mol. IUPAC: 1-cyclohexyl-2-methylbut-3-yn-2-ol.
Chemical Property Profile of 1-Cyclohexyl-2-methylbut-3-yn-2-ol
Property Insights of 1-Cyclohexyl-2-methylbut-3-yn-2-ol
The XLogP value of 3.0 indicates that 1-Cyclohexyl-2-methylbut-3-yn-2-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 1-Cyclohexyl-2-methylbut-3-yn-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyclohexyl-2-methylbut-3-yn-2-ol 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-Cyclohexyl-2-methylbut-3-yn-2-ol?
The CAS number of 1-Cyclohexyl-2-methylbut-3-yn-2-ol is 10579-65-4.
What is the molecular formula of 1-Cyclohexyl-2-methylbut-3-yn-2-ol?
The molecular formula of 1-Cyclohexyl-2-methylbut-3-yn-2-ol is C11H18O.
What is the molecular weight of 1-Cyclohexyl-2-methylbut-3-yn-2-ol?
The molecular weight of 1-Cyclohexyl-2-methylbut-3-yn-2-ol is 166.14 g/mol.
Where can I buy 1-Cyclohexyl-2-methylbut-3-yn-2-ol?
You can request a quote for 1-Cyclohexyl-2-methylbut-3-yn-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyclohexyl-2-methylbut-3-yn-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyclohexyl-2-methylbut-3-yn-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.