4-(Triethylsilyl)-3-butyn-1-ol

• CAS: 160194-29-6
• Catalog Number: ACM160194296
• Category: Silanols
• Molecular Weight: 184.35
• Molecular Formula: C₁₀H₂₀OSi
• Synonyms: 4-triethylsilylbut-3-yn-1-ol, 4-(Triethylsilyl)-3-butyn-1-ol, 160194-29-6, AC1MC39H, 4-triethylsilyl-3-butyn-1-ol, CTK4D0370, 3-Butyn-1-ol,4-(triethylsilyl)-, 4-(Triethylsilyl)-3-butyn-1-ol;, AKOS006343711, AG-E-09652, KB-35290, FT-0600777, S17618, A810122, I14-36771
• IUPAC Name: 4-triethylsilylbut-3-yn-1-ol
• InChI Key: WAVVVDUELKMQAZ-UHFFFAOYSA-N
• Boiling Point: 224.2ºC at 760 mmHg
• Flash Point: >63ºC
• Density: 0.877g/cm³
• Appearance: Transparent liquid
• Exact Mass: 184.12800
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Safety Description: 26-36/37/39

Custom Q&A

What is the IUPAC name of the compound?

The IUPAC name of the compound is 4-triethylsilylbut-3-yn-1-ol.

What is the molecular formula of the compound?

The molecular formula of the compound is C10H20OSi.

What is the molecular weight of the compound?

The molecular weight of the compound is 184.35 g/mol.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C10H20OSi/c1-4-12(5-2,6-3)10-8-7-9-11/h11H,4-7,9H2,1-3H3.

What is the InChIKey of the compound?

The InChIKey of the compound is WAVVVDUELKMQAZ-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CC[Si](CC)(CC)C#CCCO.

What is the CAS number of the compound?

The CAS number of the compound is 160194-29-6.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does the compound have?

The compound has 1 hydrogen bond acceptor count.

How many rotatable bond counts does the compound have?

The compound has 5 rotatable bond counts.

Synthetic Use

Upstream Synthesis Route 1

• 160194-28-5

• 160194-29-6

Reference: [1]Current Patent Assignee: Gruenenthal Pharma GmbH & Co. Kommanditgesellschaft - US2009/156593, 2009, A1
Location in patent: Page/Page column 17
[2]Chen, Cheng-Yi; Lieberman, David R.; Larsen, Robert D.; Reamer, Robert A.; Verhoeven, Thomas R.; Reider, Paul J.; Cottrell, Ian F.; Houghton, Peter G.
[Tetrahedron Letters, 1994, vol. 35, # 38, p. 6981 - 6984]

Downstream Synthesis Route 1

• 88511-27-7
• 160194-29-6

• 211308-91-7

Reference: [1]Tetrahedron Letters,1998,vol. 39,p. 5355 - 5358

* For details of the synthesis route, please refer to the original source to ensure accuracy.