Hex-4-yn-3-one, 2,2-dimethyl-
TL;DR: Hex-4-yn-3-one, 2,2-dimethyl- (CAS 71932-99-5) 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.
2,2-dimethylhex-4-yn-3-one
Also Known As: 2,2-dimethylhex-4-yn-3-one, Hex-4-yn-3-one, 2,2-dimethyl-, 2,2-Dimethyl-4-hexyne-3-one, tert-Butyl(1-propynyl) ketone, 2,2-Dimethyl-4-hexyn-3-one
| Molecular Formula | C8H12O |
|---|---|
| Molecular Weight | 124.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 124.08881 |
| Heavy Atoms | 9 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 71932-99-5 |
|---|---|
| SMILES | CC#CC(=O)C(C)(C)C |
| InChIKey | UDGLAQDRKQGIKX-UHFFFAOYSA-N |
Product Overview
Hex-4-yn-3-one, 2,2-dimethyl- (CAS 71932-99-5), with molecular formula C8H12O and molecular weight 124.09 g/mol. IUPAC: 2,2-dimethylhex-4-yn-3-one.
Chemical Property Profile of Hex-4-yn-3-one, 2,2-dimethyl-
Property Insights of Hex-4-yn-3-one, 2,2-dimethyl-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hex-4-yn-3-one, 2,2-dimethyl-. With a topological polar surface area (TPSA) of 17.1 Ų, Hex-4-yn-3-one, 2,2-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hex-4-yn-3-one, 2,2-dimethyl- has 0 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 Hex-4-yn-3-one, 2,2-dimethyl-?
The CAS number of Hex-4-yn-3-one, 2,2-dimethyl- is 71932-99-5.
What is the molecular formula of Hex-4-yn-3-one, 2,2-dimethyl-?
The molecular formula of Hex-4-yn-3-one, 2,2-dimethyl- is C8H12O.
What is the molecular weight of Hex-4-yn-3-one, 2,2-dimethyl-?
The molecular weight of Hex-4-yn-3-one, 2,2-dimethyl- is 124.09 g/mol.
Where can I buy Hex-4-yn-3-one, 2,2-dimethyl-?
You can request a quote for Hex-4-yn-3-one, 2,2-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hex-4-yn-3-one, 2,2-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Hex-4-yn-3-one, 2,2-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.