(5-Acetyloxy-2,5-dimethylhex-3-yn-2-yl) acetate
TL;DR: (5-Acetyloxy-2,5-dimethylhex-3-yn-2-yl) acetate (CAS 34106-07-5) is a chemical compound with molecular formula C12H18O4 and molecular weight 226.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-acetyloxy-2,5-dimethylhex-3-yn-2-yl) acetate
Also Known As: 2,5-Diacetoxy-2,5-dimethyl-3-hexyne, (5-acetyloxy-2,5-dimethylhex-3-yn-2-yl) acetate, 2,5-diacetoxy-2,5-dimethylhex-3-yne, 2,5-dimethyl-2,5-diacetoxy-3-hexyne, 2,5-Dimethyl-3-hexyne-2,5-diol diacetate
| Molecular Formula | C12H18O4 |
|---|---|
| Molecular Weight | 226.12 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 226.12051 |
| Heavy Atoms | 16 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 34106-07-5 |
|---|---|
| SMILES | CC(=O)OC(C)(C)C#CC(C)(C)OC(=O)C |
| InChIKey | JTSBDFUPOCMOBR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(5-Acetyloxy-2,5-dimethylhex-3-yn-2-yl) acetate (CAS 34106-07-5), with molecular formula C12H18O4 and molecular weight 226.12 g/mol. IUPAC: (5-acetyloxy-2,5-dimethylhex-3-yn-2-yl) acetate.
Chemical Property Profile of (5-Acetyloxy-2,5-dimethylhex-3-yn-2-yl) acetate
Property Insights of (5-Acetyloxy-2,5-dimethylhex-3-yn-2-yl) acetate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Acetyloxy-2,5-dimethylhex-3-yn-2-yl) acetate. With a topological polar surface area (TPSA) of 52.6 Ų, (5-Acetyloxy-2,5-dimethylhex-3-yn-2-yl) acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5-Acetyloxy-2,5-dimethylhex-3-yn-2-yl) acetate has 0 hydrogen bond donor(s) and 4 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-Acetyloxy-2,5-dimethylhex-3-yn-2-yl) acetate?
The CAS number of (5-Acetyloxy-2,5-dimethylhex-3-yn-2-yl) acetate is 34106-07-5.
What is the molecular formula of (5-Acetyloxy-2,5-dimethylhex-3-yn-2-yl) acetate?
The molecular formula of (5-Acetyloxy-2,5-dimethylhex-3-yn-2-yl) acetate is C12H18O4.
What is the molecular weight of (5-Acetyloxy-2,5-dimethylhex-3-yn-2-yl) acetate?
The molecular weight of (5-Acetyloxy-2,5-dimethylhex-3-yn-2-yl) acetate is 226.12 g/mol.
Where can I buy (5-Acetyloxy-2,5-dimethylhex-3-yn-2-yl) acetate?
You can request a quote for (5-Acetyloxy-2,5-dimethylhex-3-yn-2-yl) acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Acetyloxy-2,5-dimethylhex-3-yn-2-yl) acetate?
Yes, KEHONG BIO provides custom synthesis services for (5-Acetyloxy-2,5-dimethylhex-3-yn-2-yl) acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.