5-Hexen-3-yn-2-ol, 2-methyl-
TL;DR: 5-Hexen-3-yn-2-ol, 2-methyl- (CAS 690-94-8) is a chemical compound with molecular formula C7H10O and molecular weight 110.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylhex-5-en-3-yn-2-ol
Also Known As: 2-methylhex-5-en-3-yn-2-ol, Nazarov carbinol, Nazarov's carbinol, 5-HEXEN-3-YN-2-OL, 2-METHYL-, Dimethyl(vinyl)ethynylcarbinol
| Molecular Formula | C7H10O |
|---|---|
| Molecular Weight | 110.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 110.073166 |
| Heavy Atoms | 8 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 690-94-8 |
|---|---|
| SMILES | CC(C)(C#CC=C)O |
| InChIKey | OYWGYGPXPDGOGH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Hexen-3-yn-2-ol, 2-methyl- (CAS 690-94-8), with molecular formula C7H10O and molecular weight 110.07 g/mol. IUPAC: 2-methylhex-5-en-3-yn-2-ol.
Chemical Property Profile of 5-Hexen-3-yn-2-ol, 2-methyl-
Property Insights of 5-Hexen-3-yn-2-ol, 2-methyl-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Hexen-3-yn-2-ol, 2-methyl-. With a topological polar surface area (TPSA) of 20.2 Ų, 5-Hexen-3-yn-2-ol, 2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Hexen-3-yn-2-ol, 2-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 5-Hexen-3-yn-2-ol, 2-methyl-?
The CAS number of 5-Hexen-3-yn-2-ol, 2-methyl- is 690-94-8.
What is the molecular formula of 5-Hexen-3-yn-2-ol, 2-methyl-?
The molecular formula of 5-Hexen-3-yn-2-ol, 2-methyl- is C7H10O.
What is the molecular weight of 5-Hexen-3-yn-2-ol, 2-methyl-?
The molecular weight of 5-Hexen-3-yn-2-ol, 2-methyl- is 110.07 g/mol.
Where can I buy 5-Hexen-3-yn-2-ol, 2-methyl-?
You can request a quote for 5-Hexen-3-yn-2-ol, 2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Hexen-3-yn-2-ol, 2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 5-Hexen-3-yn-2-ol, 2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.