3-Pentyn-2-ol, 3-methyl-
TL;DR: 3-Pentyn-2-ol, 3-methyl- (CAS 590-38-5) is a chemical compound with molecular formula CC#CC(C)(C)O and molecular weight 98.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpent-3-yn-2-ol
Also Known As: 2-Methyl-3-pentyn-2-ol, 2-methylpent-3-yn-2-ol, 3Pentyn2ol, 3methyl, 3-pentyn-2-ol, 2-methyl-, 3-Pentyn-2-ol, 3-methyl-
| Molecular Formula | CC#CC(C)(C)O |
|---|---|
| Molecular Weight | 98.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 98.073166 |
| Heavy Atoms | 7 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 590-38-5 |
|---|---|
| SMILES | CC#CC(C)(C)O |
| InChIKey | JPKQHUHDYLMRJW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Pentyn-2-ol, 3-methyl- (CAS 590-38-5), with molecular formula CC#CC(C)(C)O and molecular weight 98.07 g/mol. IUPAC: 2-methylpent-3-yn-2-ol.
Chemical Property Profile of 3-Pentyn-2-ol, 3-methyl-
Property Insights of 3-Pentyn-2-ol, 3-methyl-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pentyn-2-ol, 3-methyl-. With a topological polar surface area (TPSA) of 20.2 Ų, 3-Pentyn-2-ol, 3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pentyn-2-ol, 3-methyl- 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 3-Pentyn-2-ol, 3-methyl-?
The CAS number of 3-Pentyn-2-ol, 3-methyl- is 590-38-5.
What is the molecular formula of 3-Pentyn-2-ol, 3-methyl-?
The molecular formula of 3-Pentyn-2-ol, 3-methyl- is CC#CC(C)(C)O.
What is the molecular weight of 3-Pentyn-2-ol, 3-methyl-?
The molecular weight of 3-Pentyn-2-ol, 3-methyl- is 98.07 g/mol.
Where can I buy 3-Pentyn-2-ol, 3-methyl-?
You can request a quote for 3-Pentyn-2-ol, 3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pentyn-2-ol, 3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 3-Pentyn-2-ol, 3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.