1-(Trimethylsilyl)hex-1-yn-3-one
TL;DR: 1-(Trimethylsilyl)hex-1-yn-3-one (CAS 80352-59-6) is a chemical compound with molecular formula C9H16OSi and molecular weight 168.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-trimethylsilylhex-1-yn-3-one
Also Known As: 1-(trimethylsilyl)hex-1-yn-3-one, 1-trimethylsilylhex-1-yn-3-one, 1-(Trimethylsilyl)-1-hexyn-3-one, 1-(Trimethylsilyl)-1-hexyne-3-one, J2.083.661J
| Molecular Formula | C9H16OSi |
|---|---|
| Molecular Weight | 168.10 g/mol |
| LogP | 2.2364 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.09705 |
| Heavy Atoms | 11 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 80352-59-6 |
|---|---|
| SMILES | CCCC(=O)C#C[Si](C)(C)C |
| InChIKey | REMWAOWABVFACE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Trimethylsilyl)hex-1-yn-3-one (CAS 80352-59-6), with molecular formula C9H16OSi and molecular weight 168.10 g/mol. IUPAC: 1-trimethylsilylhex-1-yn-3-one.
Chemical Property Profile of 1-(Trimethylsilyl)hex-1-yn-3-one
Property Insights of 1-(Trimethylsilyl)hex-1-yn-3-one
The XLogP value of 2.2364 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Trimethylsilyl)hex-1-yn-3-one. With a topological polar surface area (TPSA) of 17.1 Ų, 1-(Trimethylsilyl)hex-1-yn-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Trimethylsilyl)hex-1-yn-3-one 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 1-(Trimethylsilyl)hex-1-yn-3-one?
The CAS number of 1-(Trimethylsilyl)hex-1-yn-3-one is 80352-59-6.
What is the molecular formula of 1-(Trimethylsilyl)hex-1-yn-3-one?
The molecular formula of 1-(Trimethylsilyl)hex-1-yn-3-one is C9H16OSi.
What is the molecular weight of 1-(Trimethylsilyl)hex-1-yn-3-one?
The molecular weight of 1-(Trimethylsilyl)hex-1-yn-3-one is 168.10 g/mol.
Where can I buy 1-(Trimethylsilyl)hex-1-yn-3-one?
You can request a quote for 1-(Trimethylsilyl)hex-1-yn-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Trimethylsilyl)hex-1-yn-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(Trimethylsilyl)hex-1-yn-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.