2-甲基-3-丁炔-2-醇
TL;DR: 2-甲基-3-丁炔-2-醇 (CAS 115-19-5) is a chemical compound with molecular formula C5H8O and molecular weight 84.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-甲基-3-丁炔-2-醇
2-methylbut-3-yn-2-ol
Also Known As: 2-METHYL-3-BUTYN-2-OL, 2-Methylbut-3-yn-2-ol, Carbavane, 3-Methylbutynol, 2-Methyl-2-butynol
| Molecular Formula | C5H8O |
|---|---|
| Molecular Weight | 84.06 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 84.05752 |
| Heavy Atoms | 6 |
| Complexity | 83.0 |
| Melting Point | 2.6 °C |
| Boiling Point | 219.2 to 105.0 °C at 760 mmHg |
| Density | 0.8672 - Less dense than water; will float |
| Solubility | Solubility in water: miscible |
| Flash Point | 25.0 °C |
| Vapor Pressure | 16.0 [mmHg] |
Chemical Identifiers
| CAS Number | 115-19-5 |
|---|---|
| SMILES | CC(C)(C#C)O |
| InChIKey | CEBKHWWANWSNTI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲基-3-丁炔-2-醇 (CAS 115-19-5), with molecular formula C5H8O and molecular weight 84.06 g/mol. IUPAC: 2-methylbut-3-yn-2-ol.
Chemical Property Profile of 2-甲基-3-丁炔-2-醇
Property Insights of 2-甲基-3-丁炔-2-醇
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-甲基-3-丁炔-2-醇. With a topological polar surface area (TPSA) of 20.2 Ų, 2-甲基-3-丁炔-2-醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-甲基-3-丁炔-2-醇 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 2-甲基-3-丁炔-2-醇?
The CAS number of 2-甲基-3-丁炔-2-醇 is 115-19-5.
What is the molecular formula of 2-甲基-3-丁炔-2-醇?
The molecular formula of 2-甲基-3-丁炔-2-醇 is C5H8O.
What is the molecular weight of 2-甲基-3-丁炔-2-醇?
The molecular weight of 2-甲基-3-丁炔-2-醇 is 84.06 g/mol.
Where can I buy 2-甲基-3-丁炔-2-醇?
You can request a quote for 2-甲基-3-丁炔-2-醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲基-3-丁炔-2-醇?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基-3-丁炔-2-醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.