1-Cyclobutyl-1-ethynylethanol
TL;DR: 1-Cyclobutyl-1-ethynylethanol (CAS 515-81-1) is a chemical compound with molecular formula C8H12O and molecular weight 124.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyclobutylbut-3-yn-2-ol
Also Known As: 1-Cyclobutyl-1-ethynylethanol, 2-cyclobutylbut-3-yn-2-ol, Cyclobutanemethanol, a-ethynyl-a-methyl-, Cyclobutyl ethynyl methyl carbinol, 3-methyl-3-cyclobutyl-1-propyn-3-ol
| Molecular Formula | C8H12O |
|---|---|
| Molecular Weight | 124.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 124.08881 |
| Heavy Atoms | 9 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 515-81-1 |
|---|---|
| SMILES | CC(C#C)(C1CCC1)O |
| InChIKey | OOQOQWCONGHTDA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Cyclobutyl-1-ethynylethanol (CAS 515-81-1), with molecular formula C8H12O and molecular weight 124.09 g/mol. IUPAC: 2-cyclobutylbut-3-yn-2-ol.
Chemical Property Profile of 1-Cyclobutyl-1-ethynylethanol
Property Insights of 1-Cyclobutyl-1-ethynylethanol
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Cyclobutyl-1-ethynylethanol. With a topological polar surface area (TPSA) of 20.2 Ų, 1-Cyclobutyl-1-ethynylethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyclobutyl-1-ethynylethanol 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-Cyclobutyl-1-ethynylethanol?
The CAS number of 1-Cyclobutyl-1-ethynylethanol is 515-81-1.
What is the molecular formula of 1-Cyclobutyl-1-ethynylethanol?
The molecular formula of 1-Cyclobutyl-1-ethynylethanol is C8H12O.
What is the molecular weight of 1-Cyclobutyl-1-ethynylethanol?
The molecular weight of 1-Cyclobutyl-1-ethynylethanol is 124.09 g/mol.
Where can I buy 1-Cyclobutyl-1-ethynylethanol?
You can request a quote for 1-Cyclobutyl-1-ethynylethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyclobutyl-1-ethynylethanol?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyclobutyl-1-ethynylethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.